1-butyl-2-[(5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylsulfanyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylthio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylthio]benzimidazole-5-sulfonamide Formula: C18H20N5O3S3+ MolecularWeight: 450.5781

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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)SC=C4

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O3S3/c1-2-3-6-22-15-5-4-13(29(19,25)26)10-14(15)21-18(22)28-11-12-9-16(24)23-7-8-27-17(23)20-12/h4-5,7-10H,2-3,6,11H2,1H3,(H2,19,25,26)/p+1