2-[[4-(4-methylphenyl)-5-(methylsulfonylaminomethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[4-(4-methylphenyl)-5-(methylsulfonylaminomethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[5-(methanesulfonamidomethyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-(methanesulfonamidomethyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-(methanesulfonamidomethyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[5-(methanesulfonamidomethyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C19H21N5O3S2 MolecularWeight: 431.53174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)CNS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)CNS(=O)(=O)C

InChI

InChI=1S/C19H21N5O3S2/c1-14-8-10-16(11-9-14)24-17(12-20-29(2,26)27)22-23-19(24)28-13-18(25)21-15-6-4-3-5-7-15/h3-11,20H,12-13H2,1-2H3,(H,21,25)