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

Systemtic Name: N-[[4-ethyl-5-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzenesulfonamide Openeye Name: N-[[4-ethyl-5-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzenesulfonamide CAS Name: N-[[4-ethyl-5-[[2-(4-methylphenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide IUPAC Name: N-[[4-ethyl-5-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide Traditional Name: N-[[4-ethyl-5-[[2-keto-2-(p-tolyl)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-4-methyl-benzenesulfonamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C)CNS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C)CNS(=O)(=O)C3=CC=C(C=C3)C

InChI

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