4-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-(trifluoromethyl)benzonitrile CAS Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-2-(trifluoromethyl)benzonitrile Formula: C13H8F3N3OS MolecularWeight: 311.28233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC2=CC(=C(C=C2)C#N)C(F)(F)F

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC2=CC(=C(C=C2)C#N)C(F)(F)F

InChI

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