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

Systemtic Name: 2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-5-yl-ethanamide Openeye Name: 2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-quinolyl)acetamide CAS Name: 2-[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(5-quinolinyl)acetamide IUPAC Name: 2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-5-ylacetamide Traditional Name: 2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(5-quinolyl)acetamide Formula: C23H22N6O2S MolecularWeight: 446.52478

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC5=C4C=CC=N5

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC5=C4C=CC=N5

InChI

InChI=1S/C23H22N6O2S/c30-21(25-20-10-4-9-19-18(20)8-5-11-24-19)16-32-23-27-26-22(28-12-14-31-15-13-28)29(23)17-6-2-1-3-7-17/h1-11H,12-16H2,(H,25,30)