[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxidanylidene-ethyl] 3-phenylthiophene-2-carboxylate

Systemtic Name: [2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxidanylidene-ethyl] 3-phenylthiophene-2-carboxylate Openeye Name: [2-[[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]amino]-2-oxo-ethyl] 3-phenylthiophene-2-carboxylate CAS Name: 3-phenyl-2-thiophenecarboxylic acid [2-[[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] 3-phenylthiophene-2-carboxylate Traditional Name: 3-phenylthiophene-2-carboxylic acid [2-[[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]amino]-2-keto-ethyl] ester Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)COC(=O)C3=C(C=CS3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)COC(=O)C3=C(C=CS3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H23N3O3S/c1-16-9-11-20(12-10-16)28-18(3)23(17(2)27-28)26-22(29)15-31-25(30)24-21(13-14-32-24)19-7-5-4-6-8-19/h4-14H,15H2,1-3H3,(H,26,29)