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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CN(C3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CN(C3=CC=CC=C3)S(=O)(=O)C

InChI

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