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

Systemtic Name: [C-[(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methylsulfanyl]-N-[(phenylmethylidene)amino]carbonimidoyl]azanium Openeye Name: [N-(benzylideneamino)-C-[(4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methylsulfanyl]carbonimidoyl]ammonium CAS Name: [[(4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolyl)methylthio]-[(phenylmethylene)hydrazinylidene]methyl]ammonium IUPAC Name: [N-(benzylideneamino)-C-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methylsulfanyl]carbonimidoyl]azanium Traditional Name: [N-(benzalamino)-C-[(4-bromo-5-keto-2-methyl-1-phenyl-3-pyrazolin-3-yl)methylthio]carbonimidoyl]ammonium Formula: C19H19BrN5OS+ MolecularWeight: 445.35606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN5OS/c1-24-16(17(20)18(26)25(24)15-10-6-3-7-11-15)13-27-19(21)23-22-12-14-8-4-2-5-9-14/h2-12H,13H2,1H3,(H2,21,23)/p+1