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

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=CC(=O)N3C=C(C=CC3=N2)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CC(=O)N3C=C(C=CC3=N2)C

InChI

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