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

Systemtic Name: 2-[[5-[(2-bromanyl-4-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(2-bromo-4-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(2-bromo-4-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[(2-bromo-4-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(2-bromo-4-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H12BrN3O3S MolecularWeight: 358.21098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=NC(=NN2)SCC(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=NC(=NN2)SCC(=O)O)Br

InChI

InChI=1S/C12H12BrN3O3S/c1-7-2-3-9(8(13)4-7)19-5-10-14-12(16-15-10)20-6-11(17)18/h2-4H,5-6H2,1H3,(H,17,18)(H,14,15,16)