1-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[(7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C22H15BrN5OS+ MolecularWeight: 477.3564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=CC(=O)[N+]5=C(N4)C=CC(=C5)Br)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=CC(=O)[N+]5=C(N4)C=CC(=C5)Br)C#N

InChI

InChI=1S/C22H14BrN5OS/c1-13-8-21(28-18-5-3-2-4-17(18)26-22(28)16(13)10-24)30-12-15-9-20(29)27-11-14(23)6-7-19(27)25-15/h2-9,11H,12H2,1H3/p+1