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

Systemtic Name: 1-butyl-2-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]benzimidazole-5-sulfonamide Formula: C21H24N5O3S2+ MolecularWeight: 458.57696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)C

InChI

InChI=1S/C21H23N5O3S2/c1-3-4-9-25-18-7-6-16(31(22,28)29)11-17(18)24-21(25)30-13-15-10-20(27)26-12-14(2)5-8-19(26)23-15/h5-8,10-12H,3-4,9,13H2,1-2H3,(H2,22,28,29)/p+1