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

Systemtic Name: 2-[[4-(3-methoxypropyl)-5-oxidanylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-propanamide Openeye Name: 2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(5-quinolyl)propanamide CAS Name: 2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]thio]-N-(5-quinolinyl)propanamide IUPAC Name: 2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-ylpropanamide Traditional Name: 2-[[5-keto-4-(3-methoxypropyl)-1H-1,2,4-triazol-3-yl]thio]-N-(5-quinolyl)propionamide Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NNC(=O)N3CCCOC

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NNC(=O)N3CCCOC

InChI

InChI=1S/C18H21N5O3S/c1-12(27-18-22-21-17(25)23(18)10-5-11-26-2)16(24)20-15-8-3-7-14-13(15)6-4-9-19-14/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,20,24)(H,21,25)