2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-quinolin-8-ylethyl)ethanamide

Systemtic Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-quinolin-8-ylethyl)ethanamide Openeye Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[2-(8-quinolyl)ethyl]acetamide CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[2-(8-quinolinyl)ethyl]acetamide IUPAC Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-quinolin-8-ylethyl)acetamide Traditional Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[2-(8-quinolyl)ethyl]acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NCCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NCCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H21N5OS/c1-15-5-2-8-18(13-15)21-25-26-22(29)27(21)14-19(28)23-12-10-17-7-3-6-16-9-4-11-24-20(16)17/h2-9,11,13H,10,12,14H2,1H3,(H,23,28)(H,26,29)