2-[[4-ethyl-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-one

Systemtic Name: 2-[[4-ethyl-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-one Openeye Name: 2-[[4-ethyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]sulfanyl]cyclopentanone CAS Name: 2-[[4-ethyl-5-[2-(4-methylphenyl)-4-quinolinyl]-1,2,4-triazol-3-yl]thio]-1-cyclopentanone IUPAC Name: 2-[[4-ethyl-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-one Traditional Name: 2-[[4-ethyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]thio]cyclopentanone Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2CCCC2=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C

Isomeric SMILES

CCN1C(=NN=C1SC2CCCC2=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C

InChI

InChI=1S/C25H24N4OS/c1-3-29-24(27-28-25(29)31-23-10-6-9-22(23)30)19-15-21(17-13-11-16(2)12-14-17)26-20-8-5-4-7-18(19)20/h4-5,7-8,11-15,23H,3,6,9-10H2,1-2H3