4-[4-(2-chlorophenyl)sulfonyl-5-(4-methylphenyl)-1,2,3-triazol-1-yl]benzoate

Systemtic Name: 4-[4-(2-chlorophenyl)sulfonyl-5-(4-methylphenyl)-1,2,3-triazol-1-yl]benzoate Openeye Name: 4-[4-(2-chlorophenyl)sulfonyl-5-(p-tolyl)triazol-1-yl]benzoate CAS Name: 4-[4-(2-chlorophenyl)sulfonyl-5-(4-methylphenyl)-1-triazolyl]benzoate IUPAC Name: 4-[4-(2-chlorophenyl)sulfonyl-5-(4-methylphenyl)triazol-1-yl]benzoate Traditional Name: 4-[4-(2-chlorophenyl)sulfonyl-5-(p-tolyl)triazol-1-yl]benzoate Formula: C22H15ClN3O4S- MolecularWeight: 452.8902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=NN2C3=CC=C(C=C3)C(=O)[O-])S(=O)(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=NN2C3=CC=C(C=C3)C(=O)[O-])S(=O)(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H16ClN3O4S/c1-14-6-8-15(9-7-14)20-21(31(29,30)19-5-3-2-4-18(19)23)24-25-26(20)17-12-10-16(11-13-17)22(27)28/h2-13H,1H3,(H,27,28)/p-1