2-[[4-(4-bromanyl-2-chloranyl-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(4-bromanyl-2-chloranyl-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(4-bromo-2-chloro-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-bromo-2-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(4-bromo-2-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(4-bromo-2-chloro-phenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H9BrClN3O2S MolecularWeight: 362.63006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=C(C=C(C=C2)Br)Cl)SCC(=O)O

Isomeric SMILES

CC1=NN=C(N1C2=C(C=C(C=C2)Br)Cl)SCC(=O)O

InChI

InChI=1S/C11H9BrClN3O2S/c1-6-14-15-11(19-5-10(17)18)16(6)9-3-2-7(12)4-8(9)13/h2-4H,5H2,1H3,(H,17,18)