(2-methyl-5-propan-2-yl-phenyl) 1-(2-cyanoethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: (2-methyl-5-propan-2-yl-phenyl) 1-(2-cyanoethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: (5-isopropyl-2-methyl-phenyl) 1-(2-cyanoethyl)-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-thiophen-2-yl-4-pyrazolecarboxylic acid (2-methyl-5-propan-2-ylphenyl) ester IUPAC Name: (2-methyl-5-propan-2-ylphenyl) 1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(2-thienyl)pyrazole-4-carboxylic acid (5-isopropyl-2-methyl-phenyl) ester Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)C)OC(=O)C2=CN(N=C2C3=CC=CS3)CCC#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)C)OC(=O)C2=CN(N=C2C3=CC=CS3)CCC#N

InChI

InChI=1S/C21H21N3O2S/c1-14(2)16-8-7-15(3)18(12-16)26-21(25)17-13-24(10-5-9-22)23-20(17)19-6-4-11-27-19/h4,6-8,11-14H,5,10H2,1-3H3