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

Systemtic Name: 3-ethyl-1-[(4-methylsulfanylphenyl)methylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-ethyl-1-[(4-methylsulfanylphenyl)methylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-ethyl-1-[[4-(methylthio)phenyl]methylthio]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-ethyl-1-[(4-methylsulfanylphenyl)methylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-ethyl-1-[[4-(methylthio)benzyl]thio]pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C22H19N3S2 MolecularWeight: 389.53636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3S2/c1-3-16-12-21(27-14-15-8-10-17(26-2)11-9-15)25-20-7-5-4-6-19(20)24-22(25)18(16)13-23/h4-12H,3,14H2,1-2H3