ethyl 2-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]thiazole-4-carboxylate CAS Name: 2-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]thiazole-4-carboxylic acid ethyl ester Formula: C12H14BrN3O2S MolecularWeight: 344.22746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C12H14BrN3O2S/c1-4-18-12(17)9-6-19-10(14-9)5-16-8(3)11(13)7(2)15-16/h6H,4-5H2,1-3H3