3-ethyl-1-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-ethyl-1-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-ethyl-1-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-ethyl-1-[[2-(trifluoromethyl)phenyl]methylthio]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-ethyl-1-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-ethyl-1-[[2-(trifluoromethyl)benzyl]thio]pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C22H16F3N3S MolecularWeight: 411.44275

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=CC=CC=C4C(F)(F)F)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=CC=CC=C4C(F)(F)F)C#N

InChI

InChI=1S/C22H16F3N3S/c1-2-14-11-20(29-13-15-7-3-4-8-17(15)22(23,24)25)28-19-10-6-5-9-18(19)27-21(28)16(14)12-26/h3-11H,2,13H2,1H3