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

Systemtic Name: N-(4-cyanophenyl)-2-[[3-(2-fluorophenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-cyanophenyl)-2-[[3-(2-fluorophenyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(4-cyanophenyl)-2-[[3-(2-fluorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(4-cyanophenyl)-2-[[3-(2-fluorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(4-cyanophenyl)-2-[[3-(2-fluorophenyl)-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C25H19FN4O2S2 MolecularWeight: 490.572363

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4F)SCC(=O)NC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4F)SCC(=O)NC5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H19FN4O2S2/c26-18-6-2-3-7-19(18)30-24(32)22-17-5-1-4-8-20(17)34-23(22)29-25(30)33-14-21(31)28-16-11-9-15(13-27)10-12-16/h2-3,6-7,9-12H,1,4-5,8,14H2,(H,28,31)