(4Z)-4-[(4-cyanophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxidanylidene-pyrazole-1-carbothioamide

Systemtic Name: (4Z)-4-[(4-cyanophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxidanylidene-pyrazole-1-carbothioamide Openeye Name: (4Z)-4-[(4-cyanophenyl)hydrazono]-3-(4-nitrophenyl)-5-oxo-pyrazole-1-carbothioamide CAS Name: (4Z)-4-[(4-cyanophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-1-pyrazolecarbothioamide IUPAC Name: (4Z)-4-[(4-cyanophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxopyrazole-1-carbothioamide Traditional Name: (4Z)-4-[(4-cyanophenyl)hydrazono]-5-keto-3-(4-nitrophenyl)-2-pyrazoline-1-carbothioamide Formula: C17H11N7O3S MolecularWeight: 393.37934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NN=C2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)N/N=C\2/C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H11N7O3S/c18-9-10-1-5-12(6-2-10)20-21-15-14(22-23(16(15)25)17(19)28)11-3-7-13(8-4-11)24(26)27/h1-8,20H,(H2,19,28)/b21-15-