2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)propanamide

Systemtic Name: 2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)propanamide Openeye Name: 2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)propanamide CAS Name: 2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-(1-phenylethyl)propanamide IUPAC Name: 2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)propanamide Traditional Name: 2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-(1-phenylethyl)propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-15(18-11-7-4-8-12-18)22-19(26)16(2)28-21-24-23-20(27)25(21)14-13-17-9-5-3-6-10-17/h3-12,15-16H,13-14H2,1-2H3,(H,22,26)(H,23,27)