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

Systemtic Name: 4-[(4-methoxy-2-nitro-phenyl)hydrazinylidene]-5-oxidanylidene-3-phenyl-pyrazole-1-carbothioamide Openeye Name: 4-[(4-methoxy-2-nitro-phenyl)hydrazono]-5-oxo-3-phenyl-pyrazole-1-carbothioamide CAS Name: 4-[(4-methoxy-2-nitrophenyl)hydrazinylidene]-5-oxo-3-phenyl-1-pyrazolecarbothioamide IUPAC Name: 4-[(4-methoxy-2-nitrophenyl)hydrazinylidene]-5-oxo-3-phenylpyrazole-1-carbothioamide Traditional Name: 5-keto-4-[(4-methoxy-2-nitro-phenyl)hydrazono]-3-phenyl-2-pyrazoline-1-carbothioamide Formula: C17H14N6O4S MolecularWeight: 398.39586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NN=C2C(=NN(C2=O)C(=S)N)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NN=C2C(=NN(C2=O)C(=S)N)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O4S/c1-27-11-7-8-12(13(9-11)23(25)26)19-20-15-14(10-5-3-2-4-6-10)21-22(16(15)24)17(18)28/h2-9,19H,1H3,(H2,18,28)