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

Systemtic Name: ethyl 3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]coumarilic acid ethyl ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(OC3=CC=CC=C32)C(=O)OCC)C4CC4

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(OC3=CC=CC=C32)C(=O)OCC)C4CC4

InChI

InChI=1S/C19H21N3O3S/c1-3-22-17(12-9-10-12)20-21-19(22)26-11-14-13-7-5-6-8-15(13)25-16(14)18(23)24-4-2/h5-8,12H,3-4,9-11H2,1-2H3