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

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-5-yl-propanamide Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-quinolyl)propanamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(5-quinolinyl)propanamide IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-5-ylpropanamide Traditional Name: 2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(5-quinolyl)propionamide Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SC(C)C(=O)NC2=CC=CC3=C2C=CC=N3

Isomeric SMILES

CCCCN1C(=O)NN=C1SC(C)C(=O)NC2=CC=CC3=C2C=CC=N3

InChI

InChI=1S/C18H21N5O2S/c1-3-4-11-23-17(25)21-22-18(23)26-12(2)16(24)20-15-9-5-8-14-13(15)7-6-10-19-14/h5-10,12H,3-4,11H2,1-2H3,(H,20,24)(H,21,25)