methyl 5-(5-bromanylthiophen-2-yl)-1H-pyrazole-3-carboxylate

Systemtic Name: methyl 5-(5-bromanylthiophen-2-yl)-1H-pyrazole-3-carboxylate Openeye Name: methyl 5-(5-bromo-2-thienyl)-1H-pyrazole-3-carboxylate CAS Name: 5-(5-bromo-2-thiophenyl)-1H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(5-bromothiophen-2-yl)-1H-pyrazole-3-carboxylate Traditional Name: 5-(5-bromo-2-thienyl)-1H-pyrazole-3-carboxylic acid methyl ester Formula: C9H7BrN2O2S MolecularWeight: 287.13308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NNC(=C1)C2=CC=C(S2)Br

Isomeric SMILES

COC(=O)C1=NNC(=C1)C2=CC=C(S2)Br

InChI

InChI=1S/C9H7BrN2O2S/c1-14-9(13)6-4-5(11-12-6)7-2-3-8(10)15-7/h2-4H,1H3,(H,11,12)