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

Systemtic Name: 2-[[1-(5-bromanyl-2-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoic acid Openeye Name: 2-[1-(5-bromo-2-methyl-phenyl)tetrazol-5-yl]sulfanylacetic acid CAS Name: 2-[[1-(5-bromo-2-methylphenyl)-5-tetrazolyl]thio]acetic acid IUPAC Name: 2-[1-(5-bromo-2-methylphenyl)tetrazol-5-yl]sulfanylacetic acid Traditional Name: 2-[[1-(5-bromo-2-methyl-phenyl)tetrazol-5-yl]thio]acetic acid Formula: C10H9BrN4O2S MolecularWeight: 329.17306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)N2C(=NN=N2)SCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Br)N2C(=NN=N2)SCC(=O)O

InChI

InChI=1S/C10H9BrN4O2S/c1-6-2-3-7(11)4-8(6)15-10(12-13-14-15)18-5-9(16)17/h2-4H,5H2,1H3,(H,16,17)