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

Systemtic Name: 2-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-propanamide Openeye Name: 2-[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-quinolyl)propanamide CAS Name: 2-[[4-(2-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolinyl)propanamide IUPAC Name: 2-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-ylpropanamide Traditional Name: 2-[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolyl)propionamide Formula: C25H26N6O2S MolecularWeight: 474.57794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)NC3=CC=CC4=C3C=CC=N4)N5CCOCC5

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)NC3=CC=CC4=C3C=CC=N4)N5CCOCC5

InChI

InChI=1S/C25H26N6O2S/c1-17-7-3-4-11-22(17)31-24(30-13-15-33-16-14-30)28-29-25(31)34-18(2)23(32)27-21-10-5-9-20-19(21)8-6-12-26-20/h3-12,18H,13-16H2,1-2H3,(H,27,32)