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

Systemtic Name: N-[(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide Openeye Name: N-[(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-N-(p-tolyl)methanesulfonamide CAS Name: N-[[4-ethyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-N-(4-methylphenyl)methanesulfonamide IUPAC Name: N-[(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide Traditional Name: N-[[4-ethyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-N-(p-tolyl)methanesulfonamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CN(C3=CC=C(C=C3)C)S(=O)(=O)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CN(C3=CC=C(C=C3)C)S(=O)(=O)C

InChI

InChI=1S/C21H24N4O3S2/c1-4-24-20(14-25(30(3,27)28)18-12-10-16(2)11-13-18)22-23-21(24)29-15-19(26)17-8-6-5-7-9-17/h5-13H,4,14-15H2,1-3H3