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

Systemtic Name: 1-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[(3R)-3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(benzylthio)-1-[(5R)-5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C24H24N2O3S2 MolecularWeight: 452.58896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2CC(=NN2C(=O)CSCC3=CC=CC=C3)C4=CC=CS4)OC

InChI

InChI=1S/C24H24N2O3S2/c1-28-21-11-10-18(13-22(21)29-2)20-14-19(23-9-6-12-31-23)25-26(20)24(27)16-30-15-17-7-4-3-5-8-17/h3-13,20H,14-16H2,1-2H3/t20-/m1/s1