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

Systemtic Name: ethyl 3-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]coumarilic acid ethyl ester Formula: C20H16FN3O3S MolecularWeight: 397.422743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NNC(=N3)C4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NNC(=N3)C4=CC=CC=C4F

InChI

InChI=1S/C20H16FN3O3S/c1-2-26-19(25)17-14(12-7-4-6-10-16(12)27-17)11-28-20-22-18(23-24-20)13-8-3-5-9-15(13)21/h3-10H,2,11H2,1H3,(H,22,23,24)