2-methylsulfanyl-4-oxidanylidene-6-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-methylsulfanyl-4-oxidanylidene-6-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carbonitrile Openeye Name: 2-methylsulfanyl-4-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carbonitrile CAS Name: 2-(methylthio)-4-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-methylsulfanyl-4-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-(methylthio)-6-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carbonitrile Formula: C13H8F3N3OS MolecularWeight: 311.28233

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C(=C(N1)C2=CC(=CC=C2)C(F)(F)F)C#N

Isomeric SMILES

CSC1=NC(=O)C(=C(N1)C2=CC(=CC=C2)C(F)(F)F)C#N

InChI

InChI=1S/C13H8F3N3OS/c1-21-12-18-10(9(6-17)11(20)19-12)7-3-2-4-8(5-7)13(14,15)16/h2-5H,1H3,(H,18,19,20)