[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxo-ethyl] 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid [2-[(2,5-dimethyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H19N5O3S/c1-14-11-18(25(2)23-14)22-19(27)13-29-21(28)16-12-26(15-7-4-3-5-8-15)24-20(16)17-9-6-10-30-17/h3-12H,13H2,1-2H3,(H,22,27)