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

Systemtic Name: 2-[[5-ethyl-4-(2-iodanylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-ethyl-4-(2-iodophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-ethyl-4-(2-iodophenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-ethyl-4-(2-iodophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-ethyl-4-(2-iodophenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H12IN3O2S MolecularWeight: 389.21205

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=CC=C2I)SCC(=O)O

Isomeric SMILES

CCC1=NN=C(N1C2=CC=CC=C2I)SCC(=O)O

InChI

InChI=1S/C12H12IN3O2S/c1-2-10-14-15-12(19-7-11(17)18)16(10)9-6-4-3-5-8(9)13/h3-6H,2,7H2,1H3,(H,17,18)