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

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-5-yl-ethanamide Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-quinolyl)acetamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(5-quinolinyl)acetamide IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-5-ylacetamide Traditional Name: 2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(5-quinolyl)acetamide Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC=CC3=C2C=CC=N3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC=CC3=C2C=CC=N3

InChI

InChI=1S/C17H19N5O2S/c1-2-3-10-22-16(24)20-21-17(22)25-11-15(23)19-14-8-4-7-13-12(14)6-5-9-18-13/h4-9H,2-3,10-11H2,1H3,(H,19,23)(H,20,24)