ethyl 2-[[5-(1-benzofuran-2-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-(1-benzofuran-2-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(benzofuran-2-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-benzofuranyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(1-benzofuran-2-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(benzofuran-2-yl)-4-propyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)OCC)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)OCC)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C17H19N3O3S/c1-3-9-20-16(14-10-12-7-5-6-8-13(12)23-14)18-19-17(20)24-11-15(21)22-4-2/h5-8,10H,3-4,9,11H2,1-2H3