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

Systemtic Name: N-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide Openeye Name: N-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-N-(p-tolyl)methanesulfonamide CAS Name: N-[[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-N-(4-methylphenyl)methanesulfonamide IUPAC Name: N-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide Traditional Name: N-[[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-N-(p-tolyl)methanesulfonamide Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC2=NN=C(N2C)SCC(=O)C3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CC2=NN=C(N2C)SCC(=O)C3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C20H22N4O3S2/c1-15-9-11-17(12-10-15)24(29(3,26)27)13-19-21-22-20(23(19)2)28-14-18(25)16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3