2-[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-3-ethyl-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-3-ethyl-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(3,4-difluorophenyl)-2-oxo-ethyl]sulfanyl-3-ethyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(3,4-difluorophenyl)-2-oxoethyl]thio]-3-ethyl-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-3-ethyl-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(3,4-difluorophenyl)-2-keto-ethyl]thio]-3-ethyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C21H20F2N2O2S2 MolecularWeight: 434.522506

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC(=C(C=C3)F)F)SC4=C2CCC(C4)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC(=C(C=C3)F)F)SC4=C2CCC(C4)C

InChI

InChI=1S/C21H20F2N2O2S2/c1-3-25-20(27)18-13-6-4-11(2)8-17(13)29-19(18)24-21(25)28-10-16(26)12-5-7-14(22)15(23)9-12/h5,7,9,11H,3-4,6,8,10H2,1-2H3