N-[(4-chlorophenyl)methyl]-5-phenyl-2-(phenylsulfonyl)-1,2,4-triazol-3-amine

Systemtic Name: N-[(4-chlorophenyl)methyl]-5-phenyl-2-(phenylsulfonyl)-1,2,4-triazol-3-amine Openeye Name: 2-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine CAS Name: 2-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine IUPAC Name: 2-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine Traditional Name: (2-besyl-5-phenyl-1,2,4-triazol-3-yl)-(4-chlorobenzyl)amine Formula: C21H17ClN4O2S MolecularWeight: 424.90328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H17ClN4O2S/c22-18-13-11-16(12-14-18)15-23-21-24-20(17-7-3-1-4-8-17)25-26(21)29(27,28)19-9-5-2-6-10-19/h1-14H,15H2,(H,23,24,25)