2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[3-(2-oxo-3H-benzimidazol-1-yl)propylthio]-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[3-(2-keto-3H-benzimidazol-1-yl)propylthio]-6-phenyl-4-(trifluoromethyl)nicotinonitrile Formula: C23H17F3N4OS MolecularWeight: 454.46749

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C23H17F3N4OS/c24-23(25,26)17-13-19(15-7-2-1-3-8-15)28-21(16(17)14-27)32-12-6-11-30-20-10-5-4-9-18(20)29-22(30)31/h1-5,7-10,13H,6,11-12H2,(H,29,31)