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

Systemtic Name: methyl 2-[[5-(5-bromanylfuran-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(5-bromo-2-furyl)-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(5-bromo-2-furanyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(5-bromofuran-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(5-bromo-2-furyl)-4-isopropyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C12H14BrN3O3S MolecularWeight: 360.22686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC(=O)OC)C2=CC=C(O2)Br

Isomeric SMILES

CC(C)N1C(=NN=C1SCC(=O)OC)C2=CC=C(O2)Br

InChI

InChI=1S/C12H14BrN3O3S/c1-7(2)16-11(8-4-5-9(13)19-8)14-15-12(16)20-6-10(17)18-3/h4-5,7H,6H2,1-3H3