2-[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Formula: C30H25FN4O3S2 MolecularWeight: 572.672903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)F)C(=O)CSC4=NC5=C(C(=O)N4C6=CC=CC=C6)SCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)F)C(=O)CSC4=NC5=C(C(=O)N4C6=CC=CC=C6)SCC5

InChI

InChI=1S/C30H25FN4O3S2/c1-38-23-13-9-19(10-14-23)25-17-26(20-7-11-21(31)12-8-20)35(33-25)27(36)18-40-30-32-24-15-16-39-28(24)29(37)34(30)22-5-3-2-4-6-22/h2-14,26H,15-18H2,1H3