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

Systemtic Name: 2-[[4-(4-bromanyl-3-methyl-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(4-bromo-3-methyl-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-bromo-3-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(4-bromo-3-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(4-bromo-3-methyl-phenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H12BrN3O2S MolecularWeight: 342.21158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=NN=C2SCC(=O)O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=NN=C2SCC(=O)O)C)Br

InChI

InChI=1S/C12H12BrN3O2S/c1-7-5-9(3-4-10(7)13)16-8(2)14-15-12(16)19-6-11(17)18/h3-5H,6H2,1-2H3,(H,17,18)