4-[4-(3,4-dimethylphenyl)sulfonyl-5-methyl-1,2,3-triazol-1-yl]benzoic acid

Systemtic Name: 4-[4-(3,4-dimethylphenyl)sulfonyl-5-methyl-1,2,3-triazol-1-yl]benzoic acid Openeye Name: 4-[4-(3,4-dimethylphenyl)sulfonyl-5-methyl-triazol-1-yl]benzoic acid CAS Name: 4-[4-(3,4-dimethylphenyl)sulfonyl-5-methyl-1-triazolyl]benzoic acid IUPAC Name: 4-[4-(3,4-dimethylphenyl)sulfonyl-5-methyltriazol-1-yl]benzoic acid Traditional Name: 4-[4-(3,4-dimethylphenyl)sulfonyl-5-methyl-triazol-1-yl]benzoic acid Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC=C(C=C3)C(=O)O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC=C(C=C3)C(=O)O)C)C

InChI

InChI=1S/C18H17N3O4S/c1-11-4-9-16(10-12(11)2)26(24,25)17-13(3)21(20-19-17)15-7-5-14(6-8-15)18(22)23/h4-10H,1-3H3,(H,22,23)