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

Systemtic Name: 2-[[4-(4-bromanyl-3-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(4-bromo-3-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-bromo-3-methylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(4-bromo-3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(4-bromo-3-methyl-phenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H10BrN3O2S MolecularWeight: 328.185

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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