N-(3-oxidanylidene-1-phenyl-butan-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-oxidanylidene-1-phenyl-butan-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-benzyl-2-oxo-propyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-oxo-1-phenylbutan-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-oxo-1-phenylbutan-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-benzyl-2-keto-propyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O2S/c1-14(25)17(12-15-8-4-2-5-9-15)21-18(26)13-27-20-22-19(23-24-20)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,21,26)(H,22,23,24)