1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(1-propylindol-3-yl)sulfanyl-ethanone

Systemtic Name: 1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(1-propylindol-3-yl)sulfanyl-ethanone Openeye Name: 2-(1-propylindol-3-yl)sulfanyl-1-[3-(p-tolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[(1-propyl-3-indolyl)thio]ethanone IUPAC Name: 1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(1-propylindol-3-yl)sulfanylethanone Traditional Name: 2-[(1-propylindol-3-yl)thio]-1-[5-(p-tolyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C27H27N3OS2 MolecularWeight: 473.65278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=CC=CC=C21)SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)C

Isomeric SMILES

CCCN1C=C(C2=CC=CC=C21)SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)C

InChI

InChI=1S/C27H27N3OS2/c1-3-14-29-17-26(21-7-4-5-8-23(21)29)33-18-27(31)30-24(20-12-10-19(2)11-13-20)16-22(28-30)25-9-6-15-32-25/h4-13,15,17,24H,3,14,16,18H2,1-2H3