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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-5-yl-propanamide Openeye Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-quinolyl)propanamide CAS Name: 2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolinyl)propanamide IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-5-ylpropanamide Traditional Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolyl)propionamide Formula: C22H20N6OS MolecularWeight: 416.4988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NN=C(N3C4CC4)C5=CN=CC=C5

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NN=C(N3C4CC4)C5=CN=CC=C5

InChI

InChI=1S/C22H20N6OS/c1-14(21(29)25-19-8-2-7-18-17(19)6-4-12-24-18)30-22-27-26-20(28(22)16-9-10-16)15-5-3-11-23-13-15/h2-8,11-14,16H,9-10H2,1H3,(H,25,29)