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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-propanamide Openeye Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(5-quinolyl)propanamide CAS Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(5-quinolinyl)propanamide IUPAC Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-ylpropanamide Traditional Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(5-quinolyl)propionamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NNC(=N3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NNC(=N3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H19N5O2S/c1-13(20(27)23-18-7-3-6-17-16(18)5-4-12-22-17)29-21-24-19(25-26-21)14-8-10-15(28-2)11-9-14/h3-13H,1-2H3,(H,23,27)(H,24,25,26)