2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile Openeye Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-5-(trifluoromethyl)benzonitrile CAS Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-5-(trifluoromethyl)benzonitrile IUPAC Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-5-(trifluoromethyl)benzonitrile Traditional Name: 2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-5-(trifluoromethyl)benzonitrile Formula: C13H8F3N3OS MolecularWeight: 311.28233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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