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

Systemtic Name: (4E)-4-[(2-methoxy-4-nitro-phenyl)hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazole-1-carbothioamide Openeye Name: (4E)-4-[(2-methoxy-4-nitro-phenyl)hydrazono]-3-methyl-5-oxo-pyrazole-1-carbothioamide CAS Name: (4E)-4-[(2-methoxy-4-nitrophenyl)hydrazinylidene]-3-methyl-5-oxo-1-pyrazolecarbothioamide IUPAC Name: (4E)-4-[(2-methoxy-4-nitrophenyl)hydrazinylidene]-3-methyl-5-oxopyrazole-1-carbothioamide Traditional Name: (4E)-5-keto-4-[(2-methoxy-4-nitro-phenyl)hydrazono]-3-methyl-2-pyrazoline-1-carbothioamide Formula: C12H12N6O4S MolecularWeight: 336.32648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N6O4S/c1-6-10(11(19)17(16-6)12(13)23)15-14-8-4-3-7(18(20)21)5-9(8)22-2/h3-5,14H,1-2H3,(H2,13,23)/b15-10+