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

Systemtic Name: 2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-propanamide Openeye Name: 2-[(4-isobutyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-N-(5-quinolyl)propanamide CAS Name: 2-[[4-(2-methylpropyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolinyl)propanamide IUPAC Name: 2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-ylpropanamide Traditional Name: 2-[(4-isobutyl-5-morpholino-1,2,4-triazol-3-yl)thio]-N-(5-quinolyl)propionamide Formula: C22H28N6O2S MolecularWeight: 440.56172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SC(C)C(=O)NC2=CC=CC3=C2C=CC=N3)N4CCOCC4

Isomeric SMILES

CC(C)CN1C(=NN=C1SC(C)C(=O)NC2=CC=CC3=C2C=CC=N3)N4CCOCC4

InChI

InChI=1S/C22H28N6O2S/c1-15(2)14-28-21(27-10-12-30-13-11-27)25-26-22(28)31-16(3)20(29)24-19-8-4-7-18-17(19)6-5-9-23-18/h4-9,15-16H,10-14H2,1-3H3,(H,24,29)