4-[6-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]-2-propylsulfanyl-benzenecarbonitrile

Systemtic Name: 4-[6-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]-2-propylsulfanyl-benzenecarbonitrile Openeye Name: 4-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-propylsulfanyl-benzonitrile CAS Name: 4-[6-oxo-4-(trifluoromethyl)-1-pyrimidinyl]-2-(propylthio)benzonitrile IUPAC Name: 4-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-propylsulfanylbenzonitrile Traditional Name: 4-[6-keto-4-(trifluoromethyl)pyrimidin-1-yl]-2-(propylthio)benzonitrile Formula: C15H12F3N3OS MolecularWeight: 339.33549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=C1)N2C=NC(=CC2=O)C(F)(F)F)C#N

Isomeric SMILES

CCCSC1=C(C=CC(=C1)N2C=NC(=CC2=O)C(F)(F)F)C#N

InChI

InChI=1S/C15H12F3N3OS/c1-2-5-23-12-6-11(4-3-10(12)8-19)21-9-20-13(7-14(21)22)15(16,17)18/h3-4,6-7,9H,2,5H2,1H3