2-[2-[(3R)-3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-[(3R)-3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1H-pyrimidin-4-one Openeye Name: 2-[2-oxo-2-[(3R)-3-(p-tolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethyl]sulfanyl-6-phenyl-1H-pyrimidin-4-one CAS Name: 2-[[2-[(3R)-3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-6-phenyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-[(3R)-3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-6-phenyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-keto-2-[(5R)-5-(p-tolyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethyl]thio]-6-phenyl-1H-pyrimidin-4-one Formula: C26H22N4O2S2 MolecularWeight: 486.60848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC(=O)C=C(N3)C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)CSC3=NC(=O)C=C(N3)C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C26H22N4O2S2/c1-17-9-11-19(12-10-17)22-14-21(23-8-5-13-33-23)29-30(22)25(32)16-34-26-27-20(15-24(31)28-26)18-6-3-2-4-7-18/h2-13,15,22H,14,16H2,1H3,(H,27,28,31)/t22-/m1/s1