ethyl 5-bromanyl-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]coumarilic acid ethyl ester Formula: C20H16BrN3O3S MolecularWeight: 458.32834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C20H16BrN3O3S/c1-2-26-19(25)18-16(15-10-13(21)8-9-17(15)27-18)11-28-20-23-22-12-24(20)14-6-4-3-5-7-14/h3-10,12H,2,11H2,1H3