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

Systemtic Name: 2-[[1-(3-bromophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoic acid Openeye Name: 2-[1-(3-bromophenyl)tetrazol-5-yl]sulfanylacetic acid CAS Name: 2-[[1-(3-bromophenyl)-5-tetrazolyl]thio]acetic acid IUPAC Name: 2-[1-(3-bromophenyl)tetrazol-5-yl]sulfanylacetic acid Traditional Name: 2-[[1-(3-bromophenyl)tetrazol-5-yl]thio]acetic acid Formula: C9H7BrN4O2S MolecularWeight: 315.14648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)N2C(=NN=N2)SCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)N2C(=NN=N2)SCC(=O)O

InChI

InChI=1S/C9H7BrN4O2S/c10-6-2-1-3-7(4-6)14-9(11-12-13-14)17-5-8(15)16/h1-4H,5H2,(H,15,16)