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Phenyltetrazoles and derivatives
Description:
Compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl group.
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5-(3-Bromo-4-methoxyphenyl)-2H-tetrazoleCas Number: 191602-76-3 Compound CID: 18787092Formula: C8H7BrN4O Molecular Weight: 255.075IUPAC Name: 5-(3-bromo-4-methoxyphenyl)-2H-tetrazoleSMILES: COC1=C(C=C(C=C1)C2=NNN=N2)BrInChIKey: VKMQSSCIJPVXSH-UHFFFAOYSA-NInChI: InChI=1S/C8H7BrN4O/c1-14-7-3-2-5(4-6(7)9)8-10-12-13-11-8/h2-4H,1H3,(H,10,11,12,13)
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5-[2-(Trifluoromethoxy)phenyl]-2H-tetrazoleCas Number: 1261268-92-1Formula: C8H5F3N4O Molecular Weight: 230.15SMILES: C1=CC=C(C(=C1)C2=NNN=N2)OC(F)(F)FInChIKey: DDHPQTFUZBZZBF-UHFFFAOYSA-NInChI: InChI=1S/C8H5F3N4O/c9-8(10,11)16-6-4-2-1-3-5(6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)
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1H-Tetrazole, 5-(ethylsulfonyl)-1-phenyl-Cas Number: 3206-46-0Formula: C9H10N4O2S Molecular Weight: 238.2663SMILES: CCS(=O)(=O)C1=NN=NN1C2=CC=CC=C2InChIKey: VZFCSFHTLJFUKD-UHFFFAOYSA-NInChI: InChI=1S/C9H10N4O2S/c1-2-16(14,15)9-10-11-12-13(9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
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(2-(4-Iodophenyl)-3-(4-nitrophenyl)-5-(2,4-disulfophenyl)-2H-tetrazolium sodium saltCas Number: 150849-52-8 Compound CID: 6099081Formula: C19H12IN5O8S2NaIUPAC Name: sodium;4-[2-(4-iodophenyl)-3-(4-nitrophenyl)tetrazol-3-ium-5-yl]benzene-1,3-disulfonateSMILES: C1=CC(=CC=C1N2N=C(N=[N+]2C3=CC=C(C=C3)[N+](=O)[O-])C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])I.[Na+]InChIKey: JUJBNYBVVQSIOU-UHFFFAOYSA-MInChI: show more
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MTTCas Number: 298-93-1 EC Number: 206-069-5Formula: C18H16BrN5S Molecular Weight: 414.32IUPAC Name: 2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole;bromideSMILES: CC1=C(SC(=N1)[N+]2=NC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]InChIKey: AZKSAVLVSZKNRD-UHFFFAOYSA-MInChI: InChI=1S/C18H16N5S.BrH/c1-13-14(2)24-18(19-13)23-21-17(15-9-5-3-6-10-15)20-22(23)16-11-7-4-8-12-16;/h3-12H,1-2H3;1H/q+1;/p-1
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5-(3-Methoxyphenyl)-2H-TetrazoleCas Number: 73096-36-3 Compound CID: 3498447Formula: C8H8N4OIUPAC Name: 5-(3-methoxyphenyl)-2H-tetrazoleSMILES: COC1=CC=CC(=C1)C2=NNN=N2InChIKey: KVMUPWSDGZTZGM-UHFFFAOYSA-NInChI: InChI=1S/C8H8N4O/c1-13-7-4-2-3-6(5-7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
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5-(3-Bromophenyl)-1H-tetrazoleCas Number: 3440-99-1 Compound CID: 4073056Formula: C7H5N4Br Molecular Weight: 225.04IUPAC Name: 5-(3-bromophenyl)-2H-tetrazoleSMILES: C1=CC(=CC(=C1)Br)C2=NNN=N2InChIKey: UVKPUDRFBHSFJH-UHFFFAOYSA-NInChI: InChI=1S/C7H5BrN4/c8-6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
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3-(1H-Tetrazol-5-yl)benzylamineIUPAC Name: [3-(2H-tetrazol-5-yl)phenyl]methanamineSMILES: C1=CC(=CC(=C1)C2=NNN=N2)CNInChIKey: CRCMTYUJTYRWAX-UHFFFAOYSA-NInChI: InChI=1S/C8H9N5/c9-5-6-2-1-3-7(4-6)8-10-12-13-11-8/h1-4H,5,9H2,(H,10,11,12,13)
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(4-(2H-Tetrazol-5-yl)phenyl)methanamine hydrochlorideCas Number: 177595-28-7 Compound CID: 23224690Formula: C8H10ClN5IUPAC Name: [4-(2H-tetrazol-5-yl)phenyl]methanamine;hydrochlorideSMILES: C1=CC(=CC=C1CN)C2=NNN=N2.ClInChIKey: AYGATWAUTLJNTK-UHFFFAOYSA-NInChI: InChI=1S/C8H9N5.ClH/c9-5-6-1-3-7(4-2-6)8-10-12-13-11-8;/h1-4H,5,9H2,(H,10,11,12,13);1H
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Methyl 3-(2H-Tetrazol-5-Yl)BenzoateCas Number: 148345-63-5 Compound CID: 10536170Formula: C9H8N4O2 Molecular Weight: 204.18IUPAC Name: methyl 3-(2H-tetrazol-5-yl)benzoateSMILES: COC(=O)C1=CC=CC(=C1)C2=NNN=N2InChIKey: XHDHEDITROOBDC-UHFFFAOYSA-NInChI: InChI=1S/C9H8N4O2/c1-15-9(14)7-4-2-3-6(5-7)8-10-12-13-11-8/h2-5H,1H3,(H,10,11,12,13)
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5-[3-(Hydroxymethyl)phenyl]-2H-tetrazoleCas Number: 179057-20-6 Compound CID: 23437784Formula: C8H8N4O Molecular Weight: 176.18IUPAC Name: [3-(2H-tetrazol-5-yl)phenyl]methanolSMILES: C1=CC(=CC(=C1)C2=NNN=N2)COInChIKey: YGESRLFHDANLIL-UHFFFAOYSA-NInChI: InChI=1S/C8H8N4O/c13-5-6-2-1-3-7(4-6)8-9-11-12-10-8/h1-4,13H,5H2,(H,9,10,11,12)
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5-Chloro-2-(1H-tetrazol-1-yl)benzaldehydeCas Number: 879016-22-5 Compound CID: 11543019Formula: C8H5ClN4O Molecular Weight: 208.61IUPAC Name: 5-chloro-2-(tetrazol-1-yl)benzaldehydeSMILES: C1=CC(=C(C=C1Cl)C=O)N2C=NN=N2InChIKey: JYIIRAPFQHKOOC-UHFFFAOYSA-NInChI: InChI=1S/C8H5ClN4O/c9-7-1-2-8(6(3-7)4-14)13-5-10-11-12-13/h1-5H
