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

Systemtic Name: 2-[[4-(2-bromanyl-4-methyl-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(2-bromo-4-methyl-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-bromo-4-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(2-bromo-4-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-bromo-4-methyl-phenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C12H11BrN3O2S- MolecularWeight: 341.20364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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