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

Systemtic Name: 3-[5-methyl-4-(phenylsulfonyl)-1,2,3-triazol-1-yl]benzoic acid Openeye Name: 3-[4-(benzenesulfonyl)-5-methyl-triazol-1-yl]benzoic acid CAS Name: 3-[4-(benzenesulfonyl)-5-methyl-1-triazolyl]benzoic acid IUPAC Name: 3-[4-(benzenesulfonyl)-5-methyltriazol-1-yl]benzoic acid Traditional Name: 3-(4-besyl-5-methyl-triazol-1-yl)benzoic acid Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(N=NN1C2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H13N3O4S/c1-11-15(24(22,23)14-8-3-2-4-9-14)17-18-19(11)13-7-5-6-12(10-13)16(20)21/h2-10H,1H3,(H,20,21)