ethyl 1-(6-bromanylpyridin-2-yl)-5-(phenylmethylsulfanyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(6-bromanylpyridin-2-yl)-5-(phenylmethylsulfanyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-benzylsulfanyl-1-(6-bromo-2-pyridyl)pyrazole-4-carboxylate CAS Name: 1-(6-bromo-2-pyridinyl)-5-(phenylmethylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzylsulfanyl-1-(6-bromopyridin-2-yl)pyrazole-4-carboxylate Traditional Name: 5-(benzylthio)-1-(6-bromo-2-pyridyl)pyrazole-4-carboxylic acid ethyl ester Formula: C18H16BrN3O2S MolecularWeight: 418.30754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC(=CC=C2)Br)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC(=CC=C2)Br)SCC3=CC=CC=C3

InChI

InChI=1S/C18H16BrN3O2S/c1-2-24-18(23)14-11-20-22(16-10-6-9-15(19)21-16)17(14)25-12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3