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

Systemtic Name: 3-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)propanamide Openeye Name: 3-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)propanamide CAS Name: 3-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(1-phenylethyl)propanamide IUPAC Name: 3-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)propanamide Traditional Name: 3-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(1-phenylethyl)propionamide Formula: C17H24N4O2S MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCCC(=O)NC(C)C2=CC=CC=C2

Isomeric SMILES

CCCCN1C(=O)NN=C1SCCC(=O)NC(C)C2=CC=CC=C2

InChI

InChI=1S/C17H24N4O2S/c1-3-4-11-21-16(23)19-20-17(21)24-12-10-15(22)18-13(2)14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3,(H,18,22)(H,19,23)