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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NCCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NCCC3=CC=CC4=C3N=CC=C4

InChI

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