2-[2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-4-oxidanylidene-3-pentan-2-yl-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-4-oxidanylidene-3-pentan-2-yl-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)imino-3-(1-methylbutyl)-4-oxo-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)imino]-4-oxo-3-pentan-2-yl-5-thiazolidinyl]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-3-pentan-2-yl-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[4-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)imino]-3-(1-methylbutyl)thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide Formula: C27H30N6O5S MolecularWeight: 550.6293

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1C(=O)C(SC1=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)CC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCC(C)N1C(=O)C(SC1=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)CC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H30N6O5S/c1-5-10-17(2)31-25(35)22(16-23(34)28-19-11-9-14-21(15-19)33(37)38)39-27(31)29-24-18(3)30(4)32(26(24)36)20-12-7-6-8-13-20/h6-9,11-15,17,22H,5,10,16H2,1-4H3,(H,28,34)