2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-chloranyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-chloranyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-chloro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]methyl]-7-chloro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-chloro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]-7-chloro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C15H17ClN5O2S+ MolecularWeight: 366.84578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C15H16ClN5O2S/c1-2-3-6-20-14(23)18-19-15(20)24-9-11-7-13(22)21-8-10(16)4-5-12(21)17-11/h4-5,7-8H,2-3,6,9H2,1H3,(H,18,23)/p+1