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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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3-Methoxy-5-(5-methyl-tetrazol-1-yl)-phenylamineCas Number: 799262-39-8 Compound CID: 3155252Formula: C9H11N5O Molecular Weight: 205.22IUPAC Name: 3-methoxy-5-(5-methyltetrazol-1-yl)anilineSMILES: CC1=NN=NN1C2=CC(=CC(=C2)N)OCInChIKey: SMCRWVBLNZVWDF-UHFFFAOYSA-NInChI: InChI=1S/C9H11N5O/c1-6-11-12-13-14(6)8-3-7(10)4-9(5-8)15-2/h3-5H,10H2,1-2H3 -
3-(5-Methyl-1H-tetrazol-1-yl)benzoic acidCas Number: 799262-37-6 Compound CID: 3155250Formula: C9H8N4O2 Molecular Weight: 204.19IUPAC Name: 3-(5-methyltetrazol-1-yl)benzoic acidSMILES: CC1=NN=NN1C2=CC=CC(=C2)C(=O)OInChIKey: JLXVSQOBCKTJJU-UHFFFAOYSA-NInChI: InChI=1S/C9H8N4O2/c1-6-10-11-12-13(6)8-4-2-3-7(5-8)9(14)15/h2-5H,1H3,(H,14,15)
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3-(2H-Tetrazol-5-yl)benzonitrileCas Number: 50907-33-0 Compound CID: 11355739Formula: C8H5N5 Molecular Weight: 171.16IUPAC Name: 3-(2H-tetrazol-5-yl)benzonitrileSMILES: C1=CC(=CC(=C1)C2=NNN=N2)C#NInChIKey: RFUUHOIIHXKYOQ-UHFFFAOYSA-NInChI: InChI=1S/C8H5N5/c9-5-6-2-1-3-7(4-6)8-10-12-13-11-8/h1-4H,(H,10,11,12,13)
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3-(2H-Tetrazol-5-yl)benzaldehydeCas Number: 136689-94-6 Compound CID: 10535227Formula: C8H6N4O Molecular Weight: 174.16IUPAC Name: 3-(2H-tetrazol-5-yl)benzaldehydeSMILES: C1=CC(=CC(=C1)C2=NNN=N2)C=OInChIKey: GWZICMAGCVWLAY-UHFFFAOYSA-NInChI: InChI=1S/C8H6N4O/c13-5-6-2-1-3-7(4-6)8-9-11-12-10-8/h1-5H,(H,9,10,11,12)
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5-(3-(Trifluoromethyl)Phenyl)-1H-TetrazoleCas Number: 92712-48-6 Compound CID: 706933Formula: C8H5F3N4 Molecular Weight: 214.15IUPAC Name: 5-[3-(trifluoromethyl)phenyl]-2H-tetrazoleSMILES: C1=CC(=CC(=C1)C(F)(F)F)C2=NNN=N2InChIKey: KWSLGOVYXMQPPX-UHFFFAOYSA-NInChI: InChI=1S/C8H5F3N4/c9-8(10,11)6-3-1-2-5(4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)
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5-(3-Chlorophenyl)-1H-tetrazoleCas Number: 41421-28-7 Compound CID: 592520IUPAC Name: 5-(3-chlorophenyl)-2H-tetrazoleSMILES: C1=CC(=CC(=C1)Cl)C2=NNN=N2InChIKey: OLEWPGUJZBDDKJ-UHFFFAOYSA-NInChI: InChI=1S/C7H5ClN4/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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5-(3-Fluorophenyl)-1H-tetrazoleCas Number: 50907-20-5 Compound CID: 333943Formula: C7H5FN4 Molecular Weight: 164.14IUPAC Name: 5-(3-fluorophenyl)-2H-tetrazoleSMILES: C1=CC(=CC(=C1)F)C2=NNN=N2InChIKey: SEYSTLGMSOLFBD-UHFFFAOYSA-NInChI: InChI=1S/C7H5FN4/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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5-(2-Methylphenyl)-1H-tetrazoleCas Number: 51449-86-6 Compound CID: 583067Formula: C8H8N4 Molecular Weight: 160.18IUPAC Name: 5-(2-methylphenyl)-2H-tetrazoleSMILES: CC1=CC=CC=C1C2=NNN=N2InChIKey: MTBUOESFHRORQT-UHFFFAOYSA-NInChI: InChI=1S/C8H8N4/c1-6-4-2-3-5-7(6)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
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3-(1H-1，2，3，4-Tetrazol-1-yl)anilineCas Number: 14213-12-8 Compound CID: 863007Formula: C7H8ClN5 Molecular Weight: 197.63IUPAC Name: 3-(tetrazol-1-yl)anilineSMILES: C1=CC(=CC(=C1)N2C=NN=N2)NInChIKey: YXWXLBHIUVBLIH-UHFFFAOYSA-NInChI: InChI=1S/C7H7N5/c8-6-2-1-3-7(4-6)12-5-9-10-11-12/h1-5H,8H2
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3-(1H-Tetrazol-1-yl)benzoic acidCas Number: 204196-80-5 Compound CID: 750220Formula: C8H6N4O2 Molecular Weight: 190.16IUPAC Name: 3-(tetrazol-1-yl)benzoic acidSMILES: C1=CC(=CC(=C1)N2C=NN=N2)C(=O)OInChIKey: UNTMKIYQHROFCP-UHFFFAOYSA-NInChI: InChI=1S/C8H6N4O2/c13-8(14)6-2-1-3-7(4-6)12-5-9-10-11-12/h1-5H,(H,13,14)
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5-[4-(1-Imidazolyl)phenyl]-2H-tetrazoleCas Number: 188890-72-4 Compound CID: 1482222Formula: C10H8N6 Molecular Weight: 212.21IUPAC Name: 5-(4-imidazol-1-ylphenyl)-2H-tetrazoleSMILES: C1=CC(=CC=C1C2=NNN=N2)N3C=CN=C3InChIKey: WHAKQPDVCLWKOT-UHFFFAOYSA-NInChI: InChI=1S/C10H8N6/c1-3-9(16-6-5-11-7-16)4-2-8(1)10-12-14-15-13-10/h1-7H,(H,12,13,14,15)
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5-[4-(Methylsulfonyl)phenyl]-2H-tetrazoleCas Number: 441054-54-2 Compound CID: 655148IUPAC Name: 5-(4-methylsulfonylphenyl)-2H-tetrazoleSMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NNN=N2InChIKey: QNQGKDWSIRANDF-UHFFFAOYSA-NInChI: InChI=1S/C8H8N4O2S/c1-15(13,14)7-4-2-6(3-5-7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
