2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-8-yl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC3=C2N=CC=C3)C4=CC(=CC=C4)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC3=C2N=CC=C3)C4=CC(=CC=C4)C

InChI

InChI=1S/C22H21N5OS/c1-3-27-21(17-9-4-7-15(2)13-17)25-26-22(27)29-14-19(28)24-18-11-5-8-16-10-6-12-23-20(16)18/h4-13H,3,14H2,1-2H3,(H,24,28)