ethyl 5-methyl-1-[4-[2-(thiophen-3-ylmethylsulfanyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[4-[2-(thiophen-3-ylmethylsulfanyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-[2-(3-thienylmethylsulfanyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[oxo-[2-(3-thiophenylmethylthio)ethylamino]methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-[2-(thiophen-3-ylmethylsulfanyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[4-[2-(3-thenylthio)ethylcarbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S2/c1-3-27-21(26)19-12-23-24(15(19)2)18-6-4-17(5-7-18)20(25)22-9-11-29-14-16-8-10-28-13-16/h4-8,10,12-13H,3,9,11,14H2,1-2H3,(H,22,25)