4-[[(2-bromanyl-4-nitro-phenyl)amino]methylidene]-5-methyl-2-phenyl-pyrazole-3-thione

Systemtic Name: 4-[[(2-bromanyl-4-nitro-phenyl)amino]methylidene]-5-methyl-2-phenyl-pyrazole-3-thione Openeye Name: 4-[(2-bromo-4-nitro-anilino)methylene]-5-methyl-2-phenyl-pyrazole-3-thione CAS Name: 4-[(2-bromo-4-nitroanilino)methylidene]-5-methyl-2-phenyl-3-pyrazolethione IUPAC Name: 4-[(2-bromo-4-nitroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione Traditional Name: 4-[(2-bromo-4-nitro-anilino)methylene]-5-methyl-2-phenyl-2-pyrazoline-3-thione Formula: C17H13BrN4O2S MolecularWeight: 417.27972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)C1=CNC2=C(C=C(C=C2)[N+](=O)[O-])Br)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=S)C1=CNC2=C(C=C(C=C2)[N+](=O)[O-])Br)C3=CC=CC=C3

InChI

InChI=1S/C17H13BrN4O2S/c1-11-14(17(25)21(20-11)12-5-3-2-4-6-12)10-19-16-8-7-13(22(23)24)9-15(16)18/h2-10,19H,1H3