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

Systemtic Name: 2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-bromanyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-bromo-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-7-bromo-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-bromo-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-7-bromo-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C15H12BrN6OS2+ MolecularWeight: 436.32938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NN=C(N2N)SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

Isomeric SMILES

C1=CSC(=C1)C2=NN=C(N2N)SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C15H11BrN6OS2/c16-9-3-4-12-18-10(6-13(23)21(12)7-9)8-25-15-20-19-14(22(15)17)11-2-1-5-24-11/h1-7H,8,17H2/p+1