7-bromanyl-2-[(4-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H15BrN5OS2+ MolecularWeight: 461.3786

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br)C5=CC=CS5

InChI

InChI=1S/C18H14BrN5OS2/c19-11-3-6-15-20-12(8-16(25)23(15)9-11)10-27-18-22-21-17(14-2-1-7-26-14)24(18)13-4-5-13/h1-3,6-9,13H,4-5,10H2/p+1