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

Systemtic Name: ethyl 5-bromanyl-3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]coumarilic acid ethyl ester Formula: C22H20BrN3O3S MolecularWeight: 486.3815

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(OC3=C2C=C(C=C3)Br)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(OC3=C2C=C(C=C3)Br)C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C22H20BrN3O3S/c1-3-26-20(14-8-6-5-7-9-14)24-25-22(26)30-13-17-16-12-15(23)10-11-18(16)29-19(17)21(27)28-4-2/h5-12H,3-4,13H2,1-2H3