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

Systemtic Name: (phenylmethyl) 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]acetic acid benzyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC2=CC=CC=C2)C3=CC=CO3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC2=CC=CC=C2)C3=CC=CO3

InChI

InChI=1S/C17H17N3O3S/c1-2-20-16(14-9-6-10-22-14)18-19-17(20)24-12-15(21)23-11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3