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

Systemtic Name: 2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C11H9BrN3O2S- MolecularWeight: 327.17706

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)[O-])C2=CC=CC=C2Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)[O-])C2=CC=CC=C2Br

InChI

InChI=1S/C11H10BrN3O2S/c1-15-10(7-4-2-3-5-8(7)12)13-14-11(15)18-6-9(16)17/h2-5H,6H2,1H3,(H,16,17)/p-1