[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylmethylsulfanyl)benzoate

Systemtic Name: [2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylmethylsulfanyl)benzoate Openeye Name: [2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 2-(2-thienylmethylsulfanyl)benzoate CAS Name: 2-(thiophen-2-ylmethylthio)benzoic 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-(thiophen-2-ylmethylsulfanyl)benzoate Traditional Name: 2-(2-thenylthio)benzoic acid [2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl] ester Formula: C25H23N3O4S2 MolecularWeight: 493.59782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)C3=CC=CC=C3SCC4=CC=CS4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)C3=CC=CC=C3SCC4=CC=CS4

InChI

InChI=1S/C25H23N3O4S2/c1-17-23(24(30)28(27(17)2)18-9-4-3-5-10-18)26-22(29)15-32-25(31)20-12-6-7-13-21(20)34-16-19-11-8-14-33-19/h3-14H,15-16H2,1-2H3,(H,26,29)