2-(4-chlorophenyl)sulfanylethyl 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O2S/c1-15-20(16(2)24(23-15)14-17-6-4-3-5-7-17)21(25)26-12-13-27-19-10-8-18(22)9-11-19/h3-11H,12-14H2,1-2H3