ethyl 1-(4-bromophenyl)sulfonyl-3-methyl-5-methylsulfanyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(4-bromophenyl)sulfonyl-3-methyl-5-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-(4-bromophenyl)sulfonyl-3-methyl-5-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 1-(4-bromophenyl)sulfonyl-3-methyl-5-(methylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-bromophenyl)sulfonyl-3-methyl-5-methylsulfanylpyrazole-4-carboxylate Traditional Name: 1-brosyl-3-methyl-5-(methylthio)pyrazole-4-carboxylic acid ethyl ester Formula: C14H15BrN2O4S2 MolecularWeight: 419.3139

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)S(=O)(=O)C2=CC=C(C=C2)Br)SC

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)S(=O)(=O)C2=CC=C(C=C2)Br)SC

InChI

InChI=1S/C14H15BrN2O4S2/c1-4-21-14(18)12-9(2)16-17(13(12)22-3)23(19,20)11-7-5-10(15)6-8-11/h5-8H,4H2,1-3H3