sodium 6-bromanyl-5-methyl-2-octylsulfanyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Systemtic Name: sodium 6-bromanyl-5-methyl-2-octylsulfanyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: sodium 6-bromo-5-methyl-2-octylsulfanyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: sodium 6-bromo-5-methyl-2-(octylthio)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: sodium 6-bromo-5-methyl-2-octylsulfanyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: sodium 6-bromo-5-methyl-2-(octylthio)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C14H21BrN4NaOS+ MolecularWeight: 396.30151

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC2=NC(=C(C(=O)N2N1)Br)C.[Na+]

Isomeric SMILES

CCCCCCCCSC1=NC2=NC(=C(C(=O)N2N1)Br)C.[Na+]

InChI

InChI=1S/C14H21BrN4OS.Na/c1-3-4-5-6-7-8-9-21-14-17-13-16-10(2)11(15)12(20)19(13)18-14;/h3-9H2,1-2H3,(H,16,17,18);/q;+1