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

Systemtic Name: N-[[4-(4-methylphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]methanesulfonamide Openeye Name: N-[[5-phenethylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide CAS Name: N-[[4-(4-methylphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]methanesulfonamide IUPAC Name: N-[[4-(4-methylphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]methanesulfonamide Traditional Name: N-[[5-(phenethylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide Formula: C19H22N4O2S2 MolecularWeight: 402.53358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCC3=CC=CC=C3)CNS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCC3=CC=CC=C3)CNS(=O)(=O)C

InChI

InChI=1S/C19H22N4O2S2/c1-15-8-10-17(11-9-15)23-18(14-20-27(2,24)25)21-22-19(23)26-13-12-16-6-4-3-5-7-16/h3-11,20H,12-14H2,1-2H3