2-(1H-benzimidazol-2-ylsulfanyl)-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde CAS Name: 2-(1H-benzimidazol-2-ylthio)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxaldehyde IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Traditional Name: 2-(1H-benzimidazol-2-ylthio)-4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Formula: C17H13N4O2S+ MolecularWeight: 337.37572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=C(C(=O)[N+]2=CC=C1)C=O)SC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C2NC(=C(C(=O)[N+]2=CC=C1)C=O)SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C17H12N4O2S/c1-10-5-4-8-21-14(10)20-15(11(9-22)16(21)23)24-17-18-12-6-2-3-7-13(12)19-17/h2-9H,1H3,(H,18,19)/p+1