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

Systemtic Name: 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-quinolin-8-ylsulfanyl-ethanone Openeye Name: 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(8-quinolylsulfanyl)ethanone CAS Name: 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(8-quinolinylthio)ethanone IUPAC Name: 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-quinolin-8-ylsulfanylethanone Traditional Name: 1-[5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]-2-(8-quinolylthio)ethanone Formula: C27H23N3O2S MolecularWeight: 453.55542

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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=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O2S/c1-32-22-14-12-20(13-15-22)24-17-23(19-7-3-2-4-8-19)29-30(24)26(31)18-33-25-11-5-9-21-10-6-16-28-27(21)25/h2-16,24H,17-18H2,1H3