2-[[2-(1,3-benzothiazol-2-ylsulfanyl)-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]methylidene]propanedinitrile

Systemtic Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]methylidene]propanedinitrile Openeye Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]methylene]propanedinitrile CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]methylidene]propanedinitrile IUPAC Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]methylidene]propanedinitrile Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]methylene]malononitrile Formula: C20H12N5OS2+ MolecularWeight: 402.47218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=C(C(=O)[N+]2=CC=C1)C=C(C#N)C#N)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C2NC(=C(C(=O)[N+]2=CC=C1)C=C(C#N)C#N)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H11N5OS2/c1-12-5-4-8-25-17(12)24-18(14(19(25)26)9-13(10-21)11-22)28-20-23-15-6-2-3-7-16(15)27-20/h2-9H,1H3/p+1