(6-cyano-4-oxidanylidene-1,3-diphenyl-2-sulfanylidene-thieno[2,3-d]pyrimidin-5-yl) 4-(trifluoromethyl)benzoate

Systemtic Name: (6-cyano-4-oxidanylidene-1,3-diphenyl-2-sulfanylidene-thieno[2,3-d]pyrimidin-5-yl) 4-(trifluoromethyl)benzoate Openeye Name: (6-cyano-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid (6-cyano-4-oxo-1,3-diphenyl-2-sulfanylidene-5-thieno[2,3-d]pyrimidinyl) ester IUPAC Name: (6-cyano-4-oxo-1,3-diphenyl-2-sulfanylidenethieno[2,3-d]pyrimidin-5-yl) 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid (6-cyano-4-keto-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) ester Formula: C27H14F3N3O3S2 MolecularWeight: 549.54357

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C(=C(S3)C#N)OC(=O)C4=CC=C(C=C4)C(F)(F)F)C(=O)N(C2=S)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C(=C(S3)C#N)OC(=O)C4=CC=C(C=C4)C(F)(F)F)C(=O)N(C2=S)C5=CC=CC=C5

InChI

InChI=1S/C27H14F3N3O3S2/c28-27(29,30)17-13-11-16(12-14-17)25(35)36-22-20(15-31)38-24-21(22)23(34)32(18-7-3-1-4-8-18)26(37)33(24)19-9-5-2-6-10-19/h1-14H