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

Systemtic Name: 2-[[1-(4-bromanyl-2-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate Openeye Name: 2-[1-(4-bromo-2-methyl-phenyl)tetrazol-5-yl]sulfanylacetate CAS Name: 2-[[1-(4-bromo-2-methylphenyl)-5-tetrazolyl]thio]acetate IUPAC Name: 2-[1-(4-bromo-2-methylphenyl)tetrazol-5-yl]sulfanylacetate Traditional Name: 2-[[1-(4-bromo-2-methyl-phenyl)tetrazol-5-yl]thio]acetate Formula: C10H8BrN4O2S- MolecularWeight: 328.16512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C(=NN=N2)SCC(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C(=NN=N2)SCC(=O)[O-]

InChI

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