N-(2-cyanoethyl)-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-propanamide

Systemtic Name: N-(2-cyanoethyl)-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-propanamide Openeye Name: N-(2-cyanoethyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-propanamide CAS Name: N-(2-cyanoethyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]-N-phenylpropanamide IUPAC Name: N-(2-cyanoethyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide Traditional Name: N-(2-cyanoethyl)-2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]-N-phenyl-propionamide Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SC(C)C(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

CCCN1C(=O)NN=C1SC(C)C(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C17H21N5O2S/c1-3-11-22-16(24)19-20-17(22)25-13(2)15(23)21(12-7-10-18)14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,11-12H2,1-2H3,(H,19,24)