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

Systemtic Name: 2-[[4-(3-bromophenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(3-bromophenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(3-bromophenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(3-bromophenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(3-bromophenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H12BrN3O2S MolecularWeight: 342.21158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC(=CC=C2)Br)SCC(=O)O

Isomeric SMILES

CCC1=NN=C(N1C2=CC(=CC=C2)Br)SCC(=O)O

InChI

InChI=1S/C12H12BrN3O2S/c1-2-10-14-15-12(19-7-11(17)18)16(10)9-5-3-4-8(13)6-9/h3-6H,2,7H2,1H3,(H,17,18)