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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NC3=CC4=CC=CC=C4N=C3

InChI

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