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

Systemtic Name: 4-[4-(4-ethylphenyl)sulfonyl-5-(4-methylphenyl)-1,2,3-triazol-1-yl]benzoic acid Openeye Name: 4-[4-(4-ethylphenyl)sulfonyl-5-(p-tolyl)triazol-1-yl]benzoic acid CAS Name: 4-[4-(4-ethylphenyl)sulfonyl-5-(4-methylphenyl)-1-triazolyl]benzoic acid IUPAC Name: 4-[4-(4-ethylphenyl)sulfonyl-5-(4-methylphenyl)triazol-1-yl]benzoic acid Traditional Name: 4-[4-(4-ethylphenyl)sulfonyl-5-(p-tolyl)triazol-1-yl]benzoic acid Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H21N3O4S/c1-3-17-6-14-21(15-7-17)32(30,31)23-22(18-8-4-16(2)5-9-18)27(26-25-23)20-12-10-19(11-13-20)24(28)29/h4-15H,3H2,1-2H3,(H,28,29)