3-ethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-ethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-ethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-ethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-ethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-ethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C23H18N4O4S MolecularWeight: 446.47842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5)C#N

InChI

InChI=1S/C23H18N4O4S/c1-2-14-9-21(26-20-6-4-3-5-19(20)25-23(26)18(14)10-24)32-12-16-8-17(27(28)29)7-15-11-30-13-31-22(15)16/h3-9H,2,11-13H2,1H3