6-oxidanylidene-2-sulfanylidene-4-[4-(trifluoromethyl)phenyl]-5H-pyrimidine-5-carbonitrile

Systemtic Name: 6-oxidanylidene-2-sulfanylidene-4-[4-(trifluoromethyl)phenyl]-5H-pyrimidine-5-carbonitrile Openeye Name: 6-oxo-2-thioxo-4-[4-(trifluoromethyl)phenyl]-5H-pyrimidine-5-carbonitrile CAS Name: 6-oxo-2-sulfanylidene-4-[4-(trifluoromethyl)phenyl]-5H-pyrimidine-5-carbonitrile IUPAC Name: 6-oxo-2-sulfanylidene-4-[4-(trifluoromethyl)phenyl]-5H-pyrimidine-5-carbonitrile Traditional Name: 6-keto-2-thioxo-4-[4-(trifluoromethyl)phenyl]-5H-pyrimidine-5-carbonitrile Formula: C12H6F3N3OS MolecularWeight: 297.25575

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=S)NC(=O)C2C#N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=S)NC(=O)C2C#N)C(F)(F)F

InChI

InChI=1S/C12H6F3N3OS/c13-12(14,15)7-3-1-6(2-4-7)9-8(5-16)10(19)18-11(20)17-9/h1-4,8H,(H,18,19,20)