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

Systemtic Name: 2-[[4-(2-iodanylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(2-iodophenyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(2-iodophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(2-iodophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(2-iodophenyl)-5-isopropyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H14IN3O2S MolecularWeight: 403.23863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2=CC=CC=C2I)SCC(=O)O

Isomeric SMILES

CC(C)C1=NN=C(N1C2=CC=CC=C2I)SCC(=O)O

InChI

InChI=1S/C13H14IN3O2S/c1-8(2)12-15-16-13(20-7-11(18)19)17(12)10-6-4-3-5-9(10)14/h3-6,8H,7H2,1-2H3,(H,18,19)