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

Systemtic Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-propanamide Openeye Name: 2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-quinolyl)propanamide CAS Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolinyl)propanamide IUPAC Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-ylpropanamide Traditional Name: 2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolyl)propionamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SC(C)C(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SC(C)C(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C21H19N5OS/c1-14-7-3-4-11-19(14)26-13-23-25-21(26)28-15(2)20(27)24-18-10-5-9-17-16(18)8-6-12-22-17/h3-13,15H,1-2H3,(H,24,27)