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

Systemtic Name: 2-[2-[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-1H-pyrimidin-4-one Openeye Name: 2-[2-[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-6-ethyl-1H-pyrimidin-4-one CAS Name: 2-[[2-[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-6-ethyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-6-ethyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-[(5R)-3,5-bis(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]-6-ethyl-1H-pyrimidin-4-one Formula: C25H26N4O4S MolecularWeight: 478.56334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)SCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC(=O)N=C(N1)SCC(=O)N2[C@H](CC(=N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H26N4O4S/c1-4-18-13-23(30)27-25(26-18)34-15-24(31)29-22(17-7-11-20(33-3)12-8-17)14-21(28-29)16-5-9-19(32-2)10-6-16/h5-13,22H,4,14-15H2,1-3H3,(H,26,27,30)/t22-/m1/s1