2-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[1-(4-bromophenyl)tetrazol-5-yl]methylsulfanyl]acetic acid CAS Name: 2-[[1-(4-bromophenyl)-5-tetrazolyl]methylthio]acetic acid IUPAC Name: 2-[[1-(4-bromophenyl)tetrazol-5-yl]methylsulfanyl]acetic acid Traditional Name: 2-[[1-(4-bromophenyl)tetrazol-5-yl]methylthio]acetic acid Formula: C10H9BrN4O2S MolecularWeight: 329.17306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=NN=N2)CSCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1N2C(=NN=N2)CSCC(=O)O)Br

InChI

InChI=1S/C10H9BrN4O2S/c11-7-1-3-8(4-2-7)15-9(12-13-14-15)5-18-6-10(16)17/h1-4H,5-6H2,(H,16,17)