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

Systemtic Name: N-[(3-methoxyphenyl)methyl]-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(3-methoxyphenyl)methyl]-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(3-methoxyphenyl)methyl]-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-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-m-anisyl-acetamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O3S/c1-27-17-9-5-8-16(12-17)13-21-18(25)14-28-20-23-22-19(26)24(20)11-10-15-6-3-2-4-7-15/h2-9,12H,10-11,13-14H2,1H3,(H,21,25)(H,22,26)