N-[2-(4-methoxyphenyl)ethyl]-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-[2-(4-methoxyphenyl)ethyl]acetamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3S/c1-28-18-9-7-17(8-10-18)11-13-22-19(26)15-29-21-24-23-20(27)25(21)14-12-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,22,26)(H,23,27)