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

Systemtic Name: ethyl 3-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]coumarilic acid ethyl ester Formula: C26H26FN3O3S MolecularWeight: 479.566343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(N3C4CCCCC4)C5=CC=CC=C5F

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(N3C4CCCCC4)C5=CC=CC=C5F

InChI

InChI=1S/C26H26FN3O3S/c1-2-32-25(31)23-20(18-12-7-9-15-22(18)33-23)16-34-26-29-28-24(19-13-6-8-14-21(19)27)30(26)17-10-4-3-5-11-17/h6-9,12-15,17H,2-5,10-11,16H2,1H3