3-[[2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]methyl]benzonitrile IUPAC Name: 3-[[2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[2-keto-2-[(5R)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethyl]thio]methyl]benzonitrile Formula: C26H23N3O2S MolecularWeight: 441.54472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23N3O2S/c1-31-23-12-10-22(11-13-23)25-15-24(21-8-3-2-4-9-21)28-29(25)26(30)18-32-17-20-7-5-6-19(14-20)16-27/h2-14,25H,15,17-18H2,1H3/t25-/m1/s1