N-[[4-(4-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]methanesulfonamide

Systemtic Name: N-[[4-(4-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]methanesulfonamide Openeye Name: N-[[5-phenacylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide CAS Name: N-[[4-(4-methylphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]methanesulfonamide IUPAC Name: N-[[4-(4-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]methanesulfonamide Traditional Name: N-[[5-(phenacylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S2/c1-14-8-10-16(11-9-14)23-18(12-20-28(2,25)26)21-22-19(23)27-13-17(24)15-6-4-3-5-7-15/h3-11,20H,12-13H2,1-2H3