diethyl 1-(4-methylsulfanylphenyl)-5-phenyl-pyrazole-3,4-dicarboxylate

Systemtic Name: diethyl 1-(4-methylsulfanylphenyl)-5-phenyl-pyrazole-3,4-dicarboxylate Openeye Name: diethyl 1-(4-methylsulfanylphenyl)-5-phenyl-pyrazole-3,4-dicarboxylate CAS Name: 1-[4-(methylthio)phenyl]-5-phenylpyrazole-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-(4-methylsulfanylphenyl)-5-phenylpyrazole-3,4-dicarboxylate Traditional Name: 1-[4-(methylthio)phenyl]-5-phenyl-pyrazole-3,4-dicarboxylic acid diethyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C(=O)OCC)C2=CC=C(C=C2)SC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C(=O)OCC)C2=CC=C(C=C2)SC)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4S/c1-4-27-21(25)18-19(22(26)28-5-2)23-24(16-11-13-17(29-3)14-12-16)20(18)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3