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

Systemtic Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-propanamide Openeye Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-quinolyl)propanamide CAS Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolinyl)propanamide IUPAC Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-ylpropanamide Traditional Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolyl)propionamide Formula: C20H16ClN5OS MolecularWeight: 409.89194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NN=CN3C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NN=CN3C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H16ClN5OS/c1-13(19(27)24-18-9-3-8-17-16(18)7-4-10-22-17)28-20-25-23-12-26(20)15-6-2-5-14(21)11-15/h2-13H,1H3,(H,24,27)