ethyl 1-(4-cyanophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(4-cyanophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 1-(4-cyanophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate CAS Name: 1-(4-cyanophenyl)-5-[4-(methylthio)phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-cyanophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate Traditional Name: 1-(4-cyanophenyl)-5-[4-(methylthio)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H17N3O2S/c1-3-25-20(24)18-12-19(15-6-10-17(26-2)11-7-15)23(22-18)16-8-4-14(13-21)5-9-16/h4-12H,3H2,1-2H3