3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-butanenitrile

Systemtic Name: 3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-butanenitrile Openeye Name: 3-oxo-2-(4-phenylthiazol-2-yl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-butanenitrile CAS Name: 3-oxo-2-(4-phenyl-2-thiazolyl)-4-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]butanenitrile IUPAC Name: 3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanenitrile Traditional Name: 3-keto-2-(4-phenylthiazol-2-yl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]butyronitrile Formula: C18H11F3N4OS2 MolecularWeight: 420.43135

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)C(C#N)C(=O)CSC3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)C(C#N)C(=O)CSC3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C18H11F3N4OS2/c19-18(20,21)15-6-7-23-17(25-15)28-10-14(26)12(8-22)16-24-13(9-27-16)11-4-2-1-3-5-11/h1-7,9,12H,10H2