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

Systemtic Name: 4-oxidanylidene-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylthio]-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-oxo-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-phenyl-2-[[3-(trifluoromethyl)benzyl]thio]-1H-pyrimidine-5-carbonitrile Formula: C19H12F3N3OS MolecularWeight: 387.37829

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC(=CC=C3)C(F)(F)F)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC(=CC=C3)C(F)(F)F)C#N

InChI

InChI=1S/C19H12F3N3OS/c20-19(21,22)14-8-4-5-12(9-14)11-27-18-24-16(13-6-2-1-3-7-13)15(10-23)17(26)25-18/h1-9H,11H2,(H,24,25,26)