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

Systemtic Name: ethyl 5-bromanyl-3-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]coumarilic acid ethyl ester Formula: C21H17BrFN3O3S MolecularWeight: 490.345383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=C(N3C)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=C(N3C)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H17BrFN3O3S/c1-3-28-20(27)18-16(15-10-13(22)6-9-17(15)29-18)11-30-21-25-24-19(26(21)2)12-4-7-14(23)8-5-12/h4-10H,3,11H2,1-2H3