2-[[4-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C10H7BrN3O2S- MolecularWeight: 313.15048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8BrN3O2S/c11-7-2-1-3-8(4-7)14-6-12-13-10(14)17-5-9(15)16/h1-4,6H,5H2,(H,15,16)/p-1