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

Systemtic Name: N-[[4-ethyl-5-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-ethyl-5-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: N-[[4-ethyl-5-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: N-[[4-ethyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-ethyl-5-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-1,2,4-triazol-3-yl]methyl]benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3S/c1-3-25-19(13-22-20(27)16-7-5-4-6-8-16)23-24-21(25)29-14-18(26)15-9-11-17(28-2)12-10-15/h4-12H,3,13-14H2,1-2H3,(H,22,27)