1-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-quinolin-8-ylsulfanyl-ethanone

Systemtic Name: 1-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-quinolin-8-ylsulfanyl-ethanone Openeye Name: 1-[3-(4-methoxyphenyl)-5-(2-naphthyl)-3,4-dihydropyrazol-2-yl]-2-(8-quinolylsulfanyl)ethanone CAS Name: 1-[3-(4-methoxyphenyl)-5-(2-naphthalenyl)-3,4-dihydropyrazol-2-yl]-2-(8-quinolinylthio)ethanone IUPAC Name: 1-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-quinolin-8-ylsulfanylethanone Traditional Name: 1-[5-(4-methoxyphenyl)-3-(2-naphthyl)-2-pyrazolin-1-yl]-2-(8-quinolylthio)ethanone Formula: C31H25N3O2S MolecularWeight: 503.6141

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=CC=CC4=C3N=CC=C4)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=CC=CC4=C3N=CC=C4)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C31H25N3O2S/c1-36-26-15-13-22(14-16-26)28-19-27(25-12-11-21-6-2-3-7-24(21)18-25)33-34(28)30(35)20-37-29-10-4-8-23-9-5-17-32-31(23)29/h2-18,28H,19-20H2,1H3