3-[1-[2-fluoranyl-4-(2-methylsulfanylphenyl)phenyl]-2-oxidanylidene-piperidin-3-yl]benzimidazole-5-carbonitrile

Systemtic Name: 3-[1-[2-fluoranyl-4-(2-methylsulfanylphenyl)phenyl]-2-oxidanylidene-piperidin-3-yl]benzimidazole-5-carbonitrile Openeye Name: 3-[1-[2-fluoro-4-(2-methylsulfanylphenyl)phenyl]-2-oxo-3-piperidyl]benzimidazole-5-carbonitrile CAS Name: 3-[1-[2-fluoro-4-[2-(methylthio)phenyl]phenyl]-2-oxo-3-piperidinyl]-5-benzimidazolecarbonitrile IUPAC Name: 3-[1-[2-fluoro-4-(2-methylsulfanylphenyl)phenyl]-2-oxopiperidin-3-yl]benzimidazole-5-carbonitrile Traditional Name: 3-[1-[2-fluoro-4-[2-(methylthio)phenyl]phenyl]-2-keto-3-piperidyl]benzimidazole-5-carbonitrile Formula: C26H21FN4OS MolecularWeight: 456.534543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2=CC(=C(C=C2)N3CCCC(C3=O)N4C=NC5=C4C=C(C=C5)C#N)F

Isomeric SMILES

CSC1=CC=CC=C1C2=CC(=C(C=C2)N3CCCC(C3=O)N4C=NC5=C4C=C(C=C5)C#N)F

InChI

InChI=1S/C26H21FN4OS/c1-33-25-7-3-2-5-19(25)18-9-11-22(20(27)14-18)30-12-4-6-23(26(30)32)31-16-29-21-10-8-17(15-28)13-24(21)31/h2-3,5,7-11,13-14,16,23H,4,6,12H2,1H3