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

Systemtic Name: 3-ethyl-1-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-ethyl-1-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methylthio]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-ethyl-1-[(3-fluoro-4-methoxy-benzyl)thio]pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C22H18FN3OS MolecularWeight: 391.461223

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=CC(=C(C=C4)OC)F)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=CC(=C(C=C4)OC)F)C#N

InChI

InChI=1S/C22H18FN3OS/c1-3-15-11-21(28-13-14-8-9-20(27-2)17(23)10-14)26-19-7-5-4-6-18(19)25-22(26)16(15)12-24/h4-11H,3,13H2,1-2H3