2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-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]-8-methyl-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]-8-methyl-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]-8-methyl-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]-8-methyl-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]-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C16H20N5O2S+ MolecularWeight: 346.4273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O2S/c1-3-4-6-21-15(23)18-19-16(21)24-10-12-9-14(22)20-7-5-11(2)8-13(20)17-12/h5,7-9H,3-4,6,10H2,1-2H3,(H,18,23)/p+1