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

Systemtic Name: ethyl 3-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]coumarilic acid ethyl ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(OC3=CC=CC=C32)C(=O)OCC)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(OC3=CC=CC=C32)C(=O)OCC)CC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3S/c1-3-26-20(14-16-10-6-5-7-11-16)24-25-23(26)30-15-18-17-12-8-9-13-19(17)29-21(18)22(27)28-4-2/h5-13H,3-4,14-15H2,1-2H3