2-(1H-indol-3-ylsulfanyl)-1-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-(1H-indol-3-ylsulfanyl)-1-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-(1H-indol-3-ylsulfanyl)-1-[5-(4-methoxyphenyl)-3-(p-tolyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-(1H-indol-3-ylthio)-1-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(1H-indol-3-ylsulfanyl)-1-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(1H-indol-3-ylthio)-1-[3-(4-methoxyphenyl)-5-(p-tolyl)-2-pyrazolin-1-yl]ethanone Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=CNC4=CC=CC=C43)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=CNC4=CC=CC=C43)C5=CC=C(C=C5)OC

InChI

InChI=1S/C27H25N3O2S/c1-18-7-9-20(10-8-18)25-15-24(19-11-13-21(32-2)14-12-19)29-30(25)27(31)17-33-26-16-28-23-6-4-3-5-22(23)26/h3-14,16,25,28H,15,17H2,1-2H3