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

Systemtic Name: 3-(4-bromophenyl)-2-[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Openeye Name: 3-(4-bromophenyl)-2-[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one CAS Name: 3-(4-bromophenyl)-2-[[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one IUPAC Name: 3-(4-bromophenyl)-2-[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Traditional Name: 3-(4-bromophenyl)-2-[[2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Formula: C30H24BrFN4O3S2 MolecularWeight: 651.568963

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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=C(C=C6)Br)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=C(C=C6)Br)SCC5

InChI

InChI=1S/C30H24BrFN4O3S2/c1-39-23-12-4-18(5-13-23)25-16-26(19-2-8-21(32)9-3-19)36(34-25)27(37)17-41-30-33-24-14-15-40-28(24)29(38)35(30)22-10-6-20(31)7-11-22/h2-13,26H,14-17H2,1H3