[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC(=O)NCCSC2=CC=CC=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC(=O)NCCSC2=CC=CC=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O5S/c1-12-17(21(24)25)13(2)20(19-12)10-16(23)26-11-15(22)18-8-9-27-14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,18,22)