2-methoxy-N-[2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzamide

Systemtic Name: 2-methoxy-N-[2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzamide Openeye Name: 2-methoxy-N-[2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide CAS Name: 2-methoxy-N-[1-oxo-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]ethyl]benzamide IUPAC Name: 2-methoxy-N-[2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide Traditional Name: N-[2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetyl]-2-methoxy-benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O4S/c1-28-16-10-6-5-9-15(16)18(26)21-17(25)13-29-20-23-22-19(27)24(20)12-11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,22,27)(H,21,25,26)