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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H19N5OS/c1-14-6-8-16(9-7-14)20-24-25-21(28)26(20)13-12-19(27)23-18-11-10-15-4-2-3-5-17(15)22-18/h2-11H,12-13H2,1H3,(H,25,28)(H,22,23,27)