3-[4-[2-[(5-chloranyl-6-fluoranyl-1H-benzimidazol-2-yl)sulfanyl]-1-piperidin-4-yl-ethyl]phenyl]benzenecarbonitrile

Systemtic Name: 3-[4-[2-[(5-chloranyl-6-fluoranyl-1H-benzimidazol-2-yl)sulfanyl]-1-piperidin-4-yl-ethyl]phenyl]benzenecarbonitrile Openeye Name: 3-[4-[2-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-piperidyl)ethyl]phenyl]benzonitrile CAS Name: 3-[4-[2-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)thio]-1-(4-piperidinyl)ethyl]phenyl]benzonitrile IUPAC Name: 3-[4-[2-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)sulfanyl]-1-piperidin-4-ylethyl]phenyl]benzonitrile Traditional Name: 3-[4-[2-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)thio]-1-(4-piperidyl)ethyl]phenyl]benzonitrile Formula: C27H24ClFN4S MolecularWeight: 491.022663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(CSC2=NC3=CC(=C(C=C3N2)F)Cl)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N

Isomeric SMILES

C1CNCCC1C(CSC2=NC3=CC(=C(C=C3N2)F)Cl)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C27H24ClFN4S/c28-23-13-25-26(14-24(23)29)33-27(32-25)34-16-22(20-8-10-31-11-9-20)19-6-4-18(5-7-19)21-3-1-2-17(12-21)15-30/h1-7,12-14,20,22,31H,8-11,16H2,(H,32,33)