1-[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-cyclohexylsulfanyl-ethanone

Systemtic Name: 1-[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-cyclohexylsulfanyl-ethanone Openeye Name: 1-[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-cyclohexylsulfanyl-ethanone CAS Name: 1-[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(cyclohexylthio)ethanone IUPAC Name: 1-[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-cyclohexylsulfanylethanone Traditional Name: 1-[(5R)-3,5-bis(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-(cyclohexylthio)ethanone Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3CCCCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)CSC3CCCCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H30N2O3S/c1-29-20-12-8-18(9-13-20)23-16-24(19-10-14-21(30-2)15-11-19)27(26-23)25(28)17-31-22-6-4-3-5-7-22/h8-15,22,24H,3-7,16-17H2,1-2H3/t24-/m1/s1