4-[2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]benzamide

Systemtic Name: 4-[2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]benzamide Openeye Name: 4-[2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]hydrazino]benzamide CAS Name: 4-[2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-4-pyrazolylidene]hydrazinyl]benzamide IUPAC Name: 4-[2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]benzamide Traditional Name: 4-[N'-[5-keto-3-(4-nitrophenyl)-1-thiocarbamoyl-2-pyrazolin-4-ylidene]hydrazino]benzamide Formula: C17H13N7O4S MolecularWeight: 411.39462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C(=O)C2=NNC3=CC=C(C=C3)C(=O)N)C(=S)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C(=O)C2=NNC3=CC=C(C=C3)C(=O)N)C(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C17H13N7O4S/c18-15(25)10-1-5-11(6-2-10)20-21-14-13(22-23(16(14)26)17(19)29)9-3-7-12(8-4-9)24(27)28/h1-8,20H,(H2,18,25)(H2,19,29)