[2-[2-(3-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: [2-[2-(3-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: [2-[2-(3-nitrobenzoyl)hydrazino]-2-oxo-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid [2-[[(3-nitrophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid [2-keto-2-[N'-(3-nitrobenzoyl)hydrazino]ethyl] ester Formula: C20H17N5O6S MolecularWeight: 455.44388

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OCC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OCC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O6S/c1-32-20-21-11-16(24(20)14-7-3-2-4-8-14)19(28)31-12-17(26)22-23-18(27)13-6-5-9-15(10-13)25(29)30/h2-11H,12H2,1H3,(H,22,26)(H,23,27)