5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-1,2,4-triazol-3-amine

Systemtic Name: 5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-1,2,4-triazol-3-amine Openeye Name: N-benzyl-5-(4-chlorophenyl)-2-(p-tolylsulfonyl)-1,2,4-triazol-3-amine CAS Name: 5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-1,2,4-triazol-3-amine IUPAC Name: N-benzyl-5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine Traditional Name: benzyl-[5-(4-chlorophenyl)-2-tosyl-1,2,4-triazol-3-yl]amine Formula: C22H19ClN4O2S MolecularWeight: 438.92986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=N2)C3=CC=C(C=C3)Cl)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=N2)C3=CC=C(C=C3)Cl)NCC4=CC=CC=C4

InChI

InChI=1S/C22H19ClN4O2S/c1-16-7-13-20(14-8-16)30(28,29)27-22(24-15-17-5-3-2-4-6-17)25-21(26-27)18-9-11-19(23)12-10-18/h2-14H,15H2,1H3,(H,24,25,26)