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

Systemtic Name: 2-(4-chlorophenyl)sulfonyl-5-(4-methoxyphenyl)-N-(phenylmethyl)-1,2,4-triazol-3-amine Openeye Name: N-benzyl-2-(4-chlorophenyl)sulfonyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine CAS Name: 2-(4-chlorophenyl)sulfonyl-5-(4-methoxyphenyl)-N-(phenylmethyl)-1,2,4-triazol-3-amine IUPAC Name: N-benzyl-2-(4-chlorophenyl)sulfonyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine Traditional Name: benzyl-[2-(4-chlorophenyl)sulfonyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]amine Formula: C22H19ClN4O3S MolecularWeight: 454.92926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN4O3S/c1-30-19-11-7-17(8-12-19)21-25-22(24-15-16-5-3-2-4-6-16)27(26-21)31(28,29)20-13-9-18(23)10-14-20/h2-14H,15H2,1H3,(H,24,25,26)