[C-[(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]azanium bromide

Systemtic Name: [C-[(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]azanium bromide Openeye Name: [C-[(4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyleneamino]carbonimidoyl]ammonium bromide CAS Name: [[(4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolyl)methylthio]-[(4-methoxyphenyl)methylidenehydrazinylidene]methyl]ammonium bromide IUPAC Name: [C-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]azanium bromide Traditional Name: [C-[(4-bromo-5-keto-2-methyl-1-phenyl-3-pyrazolin-3-yl)methylthio]-N-(p-anisylideneamino)carbonimidoyl]ammonium bromide Formula: C20H21Br2N5O2S MolecularWeight: 555.28604

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CSC(=NN=CC3=CC=C(C=C3)OC)[NH3+].[Br-]

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CSC(=NN=CC3=CC=C(C=C3)OC)[NH3+].[Br-]

InChI

InChI=1S/C20H20BrN5O2S.BrH/c1-25-17(18(21)19(27)26(25)15-6-4-3-5-7-15)13-29-20(22)24-23-12-14-8-10-16(28-2)11-9-14;/h3-12H,13H2,1-2H3,(H2,22,24);1H