ethyl 5-bromanyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 5-bromo-3-[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)methyl]coumarilic acid ethyl ester Formula: C18H14BrN3O3S MolecularWeight: 432.29106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=C4N3C=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=C4N3C=CC=C4

InChI

InChI=1S/C18H14BrN3O3S/c1-2-24-17(23)16-13(12-9-11(19)6-7-14(12)25-16)10-26-18-21-20-15-5-3-4-8-22(15)18/h3-9H,2,10H2,1H3