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

Systemtic Name: 2-(4-chlorophenyl)sulfonyl-N-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-amine Openeye Name: N-benzyl-2-(4-chlorophenyl)sulfonyl-5-(3-pyridyl)-1,2,4-triazol-3-amine CAS Name: 2-(4-chlorophenyl)sulfonyl-N-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-amine IUPAC Name: N-benzyl-2-(4-chlorophenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine Traditional Name: benzyl-[2-(4-chlorophenyl)sulfonyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]amine Formula: C20H16ClN5O2S MolecularWeight: 425.89134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NN2S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NN2S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CN=CC=C4

InChI

InChI=1S/C20H16ClN5O2S/c21-17-8-10-18(11-9-17)29(27,28)26-20(23-13-15-5-2-1-3-6-15)24-19(25-26)16-7-4-12-22-14-16/h1-12,14H,13H2,(H,23,24,25)