[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl] ester Formula: C21H20N4O6S MolecularWeight: 456.4717

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O6S/c1-14-20(21(28)24(23(14)2)15-6-4-3-5-7-15)22-18(26)12-31-19(27)13-32-17-10-8-16(9-11-17)25(29)30/h3-11H,12-13H2,1-2H3,(H,22,26)