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

Systemtic Name: methyl 2-[[5-(5-bromanylfuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(5-bromo-2-furyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(5-bromo-2-furanyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(5-bromofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(5-bromo-2-furyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C11H12BrN3O3S MolecularWeight: 346.20028

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC)C2=CC=C(O2)Br

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC)C2=CC=C(O2)Br

InChI

InChI=1S/C11H12BrN3O3S/c1-3-15-10(7-4-5-8(12)18-7)13-14-11(15)19-6-9(16)17-2/h4-5H,3,6H2,1-2H3