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

Systemtic Name: (4E)-5-methyl-4-[[(4-nitro-2-oxidanyl-phenyl)amino]methylidene]-2-phenyl-pyrazole-3-thione Openeye Name: (4E)-4-[(2-hydroxy-4-nitro-anilino)methylene]-5-methyl-2-phenyl-pyrazole-3-thione CAS Name: (4E)-4-[(2-hydroxy-4-nitroanilino)methylidene]-5-methyl-2-phenyl-3-pyrazolethione IUPAC Name: (4E)-4-[(2-hydroxy-4-nitroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione Traditional Name: (4E)-4-[(2-hydroxy-4-nitro-anilino)methylene]-5-methyl-2-phenyl-2-pyrazoline-3-thione Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC\1=NN(C(=S)/C1=C/NC2=C(C=C(C=C2)[N+](=O)[O-])O)C3=CC=CC=C3

InChI

InChI=1S/C17H14N4O3S/c1-11-14(17(25)20(19-11)12-5-3-2-4-6-12)10-18-15-8-7-13(21(23)24)9-16(15)22/h2-10,18,22H,1H3/b14-10+