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

Systemtic Name: methyl 1-cycloheptyl-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate Openeye Name: methyl 1-cycloheptyl-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate CAS Name: 1-cycloheptyl-5-[4-(methylthio)phenyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-cycloheptyl-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate Traditional Name: 1-cycloheptyl-5-[4-(methylthio)phenyl]pyrazole-3-carboxylic acid methyl ester Formula: C19H24N2O2S MolecularWeight: 344.47106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC)C3CCCCCC3

Isomeric SMILES

COC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC)C3CCCCCC3

InChI

InChI=1S/C19H24N2O2S/c1-23-19(22)17-13-18(14-9-11-16(24-2)12-10-14)21(20-17)15-7-5-3-4-6-8-15/h9-13,15H,3-8H2,1-2H3