[azanyl-[(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methylsulfanyl]methylidene]azanium bromide

Systemtic Name: [azanyl-[(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methylsulfanyl]methylidene]azanium bromide Openeye Name: [amino-[(4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methylsulfanyl]methylene]ammonium bromide CAS Name: [amino-[(4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolyl)methylthio]methylidene]ammonium bromide IUPAC Name: [amino-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methylsulfanyl]methylidene]azanium bromide Traditional Name: [amino-[(4-bromo-5-keto-2-methyl-1-phenyl-3-pyrazolin-3-yl)methylthio]methylene]ammonium bromide Formula: C12H14Br2N4OS MolecularWeight: 422.13876

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CSC(=[NH2+])N.[Br-]

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CSC(=[NH2+])N.[Br-]

InChI

InChI=1S/C12H13BrN4OS.BrH/c1-16-9(7-19-12(14)15)10(13)11(18)17(16)8-5-3-2-4-6-8;/h2-6H,7H2,1H3,(H3,14,15);1H