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

Systemtic Name: 3-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propionate Formula: C12H11BrN3O2S- MolecularWeight: 341.20364

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)[O-])C2=CC=CC=C2Br

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)[O-])C2=CC=CC=C2Br

InChI

InChI=1S/C12H12BrN3O2S/c1-16-11(8-4-2-3-5-9(8)13)14-15-12(16)19-7-6-10(17)18/h2-5H,6-7H2,1H3,(H,17,18)/p-1