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

Systemtic Name: 3-[4-(3,4-dimethylphenyl)sulfonyl-5-phenyl-1,2,3-triazol-1-yl]benzoic acid Openeye Name: 3-[4-(3,4-dimethylphenyl)sulfonyl-5-phenyl-triazol-1-yl]benzoic acid CAS Name: 3-[4-(3,4-dimethylphenyl)sulfonyl-5-phenyl-1-triazolyl]benzoic acid IUPAC Name: 3-[4-(3,4-dimethylphenyl)sulfonyl-5-phenyltriazol-1-yl]benzoic acid Traditional Name: 3-[4-(3,4-dimethylphenyl)sulfonyl-5-phenyl-triazol-1-yl]benzoic acid Formula: C23H19N3O4S MolecularWeight: 433.47966

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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=CC(=C3)C(=O)O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4)C

InChI

InChI=1S/C23H19N3O4S/c1-15-11-12-20(13-16(15)2)31(29,30)22-21(17-7-4-3-5-8-17)26(25-24-22)19-10-6-9-18(14-19)23(27)28/h3-14H,1-2H3,(H,27,28)