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

Systemtic Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-5-yl-propanamide Openeye Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-quinolyl)propanamide CAS Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-(5-quinolinyl)propanamide IUPAC Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-5-ylpropanamide Traditional Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolyl)propionamide Formula: C21H19N5OS2 MolecularWeight: 421.53846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NN=C(N3C4CC4)C5=CC=CS5

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NN=C(N3C4CC4)C5=CC=CS5

InChI

InChI=1S/C21H19N5OS2/c1-13(20(27)23-17-7-2-6-16-15(17)5-3-11-22-16)29-21-25-24-19(18-8-4-12-28-18)26(21)14-9-10-14/h2-8,11-14H,9-10H2,1H3,(H,23,27)