1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(phenylmethylsulfanyl)ethanone

Systemtic Name: 1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[3-(4-methoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(benzylthio)-1-[5-(4-methoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C23H22N2O2S2 MolecularWeight: 422.56298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSCC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSCC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C23H22N2O2S2/c1-27-19-11-9-18(10-12-19)21-14-20(22-8-5-13-29-22)24-25(21)23(26)16-28-15-17-6-3-2-4-7-17/h2-13,21H,14-16H2,1H3