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

Systemtic Name: 7-bromanyl-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-bromo-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-bromo-2-[[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-bromo-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-bromo-2-[[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H15BrN5OS2+ MolecularWeight: 497.4107

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br)C5=CC=CS5

InChI

InChI=1S/C21H14BrN5OS2/c22-14-8-9-18-23-15(11-19(28)26(18)12-14)13-30-21-25-24-20(17-7-4-10-29-17)27(21)16-5-2-1-3-6-16/h1-12H,13H2/p+1