2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-oxidanylidene-6-(1-phenylethyl)-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-oxidanylidene-6-(1-phenylethyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxo-6-(1-phenylethyl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(2,3-difluorophenyl)methylthio]-4-oxo-6-(1-phenylethyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxo-6-(1-phenylethyl)-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[(2,3-difluorobenzyl)thio]-4-keto-6-(1-phenylethyl)-1H-pyrimidine-5-carbonitrile Formula: C20H15F2N3OS MolecularWeight: 383.414406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15F2N3OS/c1-12(13-6-3-2-4-7-13)18-15(10-23)19(26)25-20(24-18)27-11-14-8-5-9-16(21)17(14)22/h2-9,12H,11H2,1H3,(H,24,25,26)