2-[[3-(4-fluorophenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[[3-(4-fluorophenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[[3-(4-fluorophenyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[3-(4-fluorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[[3-(4-fluorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[3-(4-fluorophenyl)-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C25H19F4N3O2S2 MolecularWeight: 533.560873

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)F)SCC(=O)NC5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)F)SCC(=O)NC5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C25H19F4N3O2S2/c26-15-8-10-17(11-9-15)32-23(34)21-18-6-1-2-7-19(18)36-22(21)31-24(32)35-13-20(33)30-16-5-3-4-14(12-16)25(27,28)29/h3-5,8-12H,1-2,6-7,13H2,(H,30,33)