methyl 1-cyclooctyl-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate

Systemtic Name: methyl 1-cyclooctyl-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate Openeye Name: methyl 1-cyclooctyl-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate CAS Name: 1-cyclooctyl-5-[4-(methylthio)phenyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-cyclooctyl-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate Traditional Name: 1-cyclooctyl-5-[4-(methylthio)phenyl]pyrazole-3-carboxylic acid methyl ester Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC)C3CCCCCCC3

Isomeric SMILES

COC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC)C3CCCCCCC3

InChI

InChI=1S/C20H26N2O2S/c1-24-20(23)18-14-19(15-10-12-17(25-2)13-11-15)22(21-18)16-8-6-4-3-5-7-9-16/h10-14,16H,3-9H2,1-2H3