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

Systemtic Name: ethyl 5-(4-methylsulfanylphenyl)-1-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-methylsulfanylphenyl)-1-phenyl-pyrazole-3-carboxylate CAS Name: 5-[4-(methylthio)phenyl]-1-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-methylsulfanylphenyl)-1-phenylpyrazole-3-carboxylate Traditional Name: 5-[4-(methylthio)phenyl]-1-phenyl-pyrazole-3-carboxylic acid ethyl ester Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O2S/c1-3-23-19(22)17-13-18(14-9-11-16(24-2)12-10-14)21(20-17)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3