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

Systemtic Name: N-[[4-(4-methylphenyl)-5-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]methanesulfonamide Openeye Name: N-[[5-[2-oxo-2-(2-thienyl)ethyl]sulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide CAS Name: N-[[4-(4-methylphenyl)-5-[(2-oxo-2-thiophen-2-ylethyl)thio]-1,2,4-triazol-3-yl]methyl]methanesulfonamide IUPAC Name: N-[[4-(4-methylphenyl)-5-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]methanesulfonamide Traditional Name: N-[[5-[[2-keto-2-(2-thienyl)ethyl]thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide Formula: C17H18N4O3S3 MolecularWeight: 422.54482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CS3)CNS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CS3)CNS(=O)(=O)C

InChI

InChI=1S/C17H18N4O3S3/c1-12-5-7-13(8-6-12)21-16(10-18-27(2,23)24)19-20-17(21)26-11-14(22)15-4-3-9-25-15/h3-9,18H,10-11H2,1-2H3