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

Systemtic Name: ethyl 3-azanyl-1-(4-bromophenyl)sulfonyl-5-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-amino-1-(4-bromophenyl)sulfonyl-5-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 3-amino-1-(4-bromophenyl)sulfonyl-5-(methylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-1-(4-bromophenyl)sulfonyl-5-methylsulfanylpyrazole-4-carboxylate Traditional Name: 3-amino-1-brosyl-5-(methylthio)pyrazole-4-carboxylic acid ethyl ester Formula: C13H14BrN3O4S2 MolecularWeight: 420.30196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1N)S(=O)(=O)C2=CC=C(C=C2)Br)SC

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1N)S(=O)(=O)C2=CC=C(C=C2)Br)SC

InChI

InChI=1S/C13H14BrN3O4S2/c1-3-21-13(18)10-11(15)16-17(12(10)22-2)23(19,20)9-6-4-8(14)5-7-9/h4-7H,3H2,1-2H3,(H2,15,16)