2-chloranyl-4-[4-oxidanylidene-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-3-yl]benzenecarbonitrile

Systemtic Name: 2-chloranyl-4-[4-oxidanylidene-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-3-yl]benzenecarbonitrile Openeye Name: 2-chloro-4-[4-oxo-2-thioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]benzonitrile CAS Name: 2-chloro-4-[4-oxo-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-3-yl]benzonitrile IUPAC Name: 2-chloro-4-[4-oxo-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-3-yl]benzonitrile Traditional Name: 2-chloro-4-[4-keto-2-thioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]benzonitrile Formula: C12H5ClF3N3OS MolecularWeight: 331.70081

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C(=O)C=C(NC2=S)C(F)(F)F)Cl)C#N

Isomeric SMILES

C1=CC(=C(C=C1N2C(=O)C=C(NC2=S)C(F)(F)F)Cl)C#N

InChI

InChI=1S/C12H5ClF3N3OS/c13-8-3-7(2-1-6(8)5-17)19-10(20)4-9(12(14,15)16)18-11(19)21/h1-4H,(H,18,21)