(4-cyanophenyl) 3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (4-cyanophenyl) 3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (4-cyanophenyl) 1-isobutyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-(2-methylpropyl)-5-thieno[2,3-c]pyrazolecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-isobutyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid (4-cyanophenyl) ester Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OC3=CC=C(C=C3)C#N)CC(C)C

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OC3=CC=C(C=C3)C#N)CC(C)C

InChI

InChI=1S/C18H17N3O2S/c1-11(2)10-21-17-15(12(3)20-21)8-16(24-17)18(22)23-14-6-4-13(9-19)5-7-14/h4-8,11H,10H2,1-3H3