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

Systemtic Name: ethyl 3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]coumarilic acid ethyl ester Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(OC3=CC=CC=C32)C(=O)OCC)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(OC3=CC=CC=C32)C(=O)OCC)C4=CC=CS4

InChI

InChI=1S/C20H19N3O3S2/c1-3-23-18(16-10-7-11-27-16)21-22-20(23)28-12-14-13-8-5-6-9-15(13)26-17(14)19(24)25-4-2/h5-11H,3-4,12H2,1-2H3