(4E)-4-[(2-bromanyl-4-nitro-phenyl)hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazole-1-carbothioamide

Systemtic Name: (4E)-4-[(2-bromanyl-4-nitro-phenyl)hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazole-1-carbothioamide Openeye Name: (4E)-4-[(2-bromo-4-nitro-phenyl)hydrazono]-3-methyl-5-oxo-pyrazole-1-carbothioamide CAS Name: (4E)-4-[(2-bromo-4-nitrophenyl)hydrazinylidene]-3-methyl-5-oxo-1-pyrazolecarbothioamide IUPAC Name: (4E)-4-[(2-bromo-4-nitrophenyl)hydrazinylidene]-3-methyl-5-oxopyrazole-1-carbothioamide Traditional Name: (4E)-4-[(2-bromo-4-nitro-phenyl)hydrazono]-5-keto-3-methyl-2-pyrazoline-1-carbothioamide Formula: C11H9BrN6O3S MolecularWeight: 385.19656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=C(C=C(C=C2)[N+](=O)[O-])Br)C(=S)N

Isomeric SMILES

CC\1=NN(C(=O)/C1=N/NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C(=S)N

InChI

InChI=1S/C11H9BrN6O3S/c1-5-9(10(19)17(16-5)11(13)22)15-14-8-3-2-6(18(20)21)4-7(8)12/h2-4,14H,1H3,(H2,13,22)/b15-9+