9-methyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 9-methyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 9-methyl-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 9-methyl-2-[[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 9-methyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 9-methyl-2-[[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H21N6OS+ MolecularWeight: 393.48534

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=CC(=O)[N+]3=CC=CC(=C3N2)C)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC2=CC(=O)[N+]3=CC=CC(=C3N2)C)C4=CC=NC=C4

InChI

InChI=1S/C20H20N6OS/c1-3-10-26-19(15-6-8-21-9-7-15)23-24-20(26)28-13-16-12-17(27)25-11-4-5-14(2)18(25)22-16/h4-9,11-12H,3,10,13H2,1-2H3/p+1