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

Systemtic Name: 2-[[4-ethyl-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]ethanol Openeye Name: 2-[[4-ethyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]sulfanyl]ethanol CAS Name: 2-[[4-ethyl-5-[2-(4-methylphenyl)-4-quinolinyl]-1,2,4-triazol-3-yl]thio]ethanol IUPAC Name: 2-[[4-ethyl-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]ethanol Traditional Name: 2-[[4-ethyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]thio]ethanol Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCO)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C(=NN=C1SCCO)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H22N4OS/c1-3-26-21(24-25-22(26)28-13-12-27)18-14-20(16-10-8-15(2)9-11-16)23-19-7-5-4-6-17(18)19/h4-11,14,27H,3,12-13H2,1-2H3