ethyl 3-nitro-4-[2-(phenylcarbamothioyl)hydrazinyl]benzoate

Systemtic Name: ethyl 3-nitro-4-[2-(phenylcarbamothioyl)hydrazinyl]benzoate Openeye Name: ethyl 3-nitro-4-[2-(phenylcarbamothioyl)hydrazino]benzoate CAS Name: 4-[[anilino(sulfanylidene)methyl]hydrazo]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-4-[2-(phenylcarbamothioyl)hydrazinyl]benzoate Traditional Name: 3-nitro-4-[N'-(phenylthiocarbamoyl)hydrazino]benzoic acid ethyl ester Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NNC(=S)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NNC(=S)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O4S/c1-2-24-15(21)11-8-9-13(14(10-11)20(22)23)18-19-16(25)17-12-6-4-3-5-7-12/h3-10,18H,2H2,1H3,(H2,17,19,25)