7-cyano-4-oxidanylidene-6-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-thieno[3,2-d]pyrimidin-2-olate

Systemtic Name: 7-cyano-4-oxidanylidene-6-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-thieno[3,2-d]pyrimidin-2-olate Openeye Name: 7-cyano-4-oxo-6-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-thieno[3,2-d]pyrimidin-2-olate CAS Name: 7-cyano-4-oxo-6-[[2-(trifluoromethyl)phenyl]methylthio]-1H-thieno[3,2-d]pyrimidin-2-olate IUPAC Name: 7-cyano-4-oxo-6-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-thieno[3,2-d]pyrimidin-2-olate Traditional Name: 7-cyano-4-keto-6-[[2-(trifluoromethyl)benzyl]thio]-1H-thieno[3,2-d]pyrimidin-2-olate Formula: C15H7F3N3O2S2- MolecularWeight: 382.36019

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=C(C3=C(S2)C(=O)N=C(N3)[O-])C#N)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=C(C3=C(S2)C(=O)N=C(N3)[O-])C#N)C(F)(F)F

InChI

InChI=1S/C15H8F3N3O2S2/c16-15(17,18)9-4-2-1-3-7(9)6-24-13-8(5-19)10-11(25-13)12(22)21-14(23)20-10/h1-4H,6H2,(H2,20,21,22,23)/p-1