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

Systemtic Name: 7-bromanyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-bromo-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-bromo-2-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-bromo-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-bromo-2-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C13H13BrN5OS+ MolecularWeight: 367.24422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

Isomeric SMILES

CC1=NN=C(N1C)SCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C13H12BrN5OS/c1-8-16-17-13(18(8)2)21-7-10-5-12(20)19-6-9(14)3-4-11(19)15-10/h3-6H,7H2,1-2H3/p+1