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

Systemtic Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-5-yl-propanamide Openeye Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-quinolyl)propanamide CAS Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(5-quinolinyl)propanamide IUPAC Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-5-ylpropanamide Traditional Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(5-quinolyl)propionamide Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NN(C(=N3)C4CC4)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NN(C(=N3)C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C23H21N5OS/c1-15(22(29)25-20-11-5-10-19-18(20)9-6-14-24-19)30-23-26-21(16-12-13-16)28(27-23)17-7-3-2-4-8-17/h2-11,14-16H,12-13H2,1H3,(H,25,29)