methyl 1-(4-cyanophenyl)-5-(4-methylthiophen-2-yl)pyrazole-3-carboxylate

Systemtic Name: methyl 1-(4-cyanophenyl)-5-(4-methylthiophen-2-yl)pyrazole-3-carboxylate Openeye Name: methyl 1-(4-cyanophenyl)-5-(4-methyl-2-thienyl)pyrazole-3-carboxylate CAS Name: 1-(4-cyanophenyl)-5-(4-methyl-2-thiophenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-cyanophenyl)-5-(4-methylthiophen-2-yl)pyrazole-3-carboxylate Traditional Name: 1-(4-cyanophenyl)-5-(4-methyl-2-thienyl)pyrazole-3-carboxylic acid methyl ester Formula: C17H13N3O2S MolecularWeight: 323.36902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C2=CC(=NN2C3=CC=C(C=C3)C#N)C(=O)OC

Isomeric SMILES

CC1=CSC(=C1)C2=CC(=NN2C3=CC=C(C=C3)C#N)C(=O)OC

InChI

InChI=1S/C17H13N3O2S/c1-11-7-16(23-10-11)15-8-14(17(21)22-2)19-20(15)13-5-3-12(9-18)4-6-13/h3-8,10H,1-2H3