ethyl 3,5-dimethyl-1-[4-[2-(phenylmethylsulfanyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-1-[4-[2-(phenylmethylsulfanyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(2-benzylsulfanylethylcarbamoyl)phenyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-[4-[oxo-[2-(phenylmethylthio)ethylamino]methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(2-benzylsulfanylethylcarbamoyl)phenyl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-[4-[2-(benzylthio)ethylcarbamoyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylic acid ethyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NCCSCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NCCSCC3=CC=CC=C3)C

InChI

InChI=1S/C24H27N3O3S/c1-4-30-24(29)22-17(2)26-27(18(22)3)21-12-10-20(11-13-21)23(28)25-14-15-31-16-19-8-6-5-7-9-19/h5-13H,4,14-16H2,1-3H3,(H,25,28)