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

Systemtic Name: 2-[[5-cyclopropyl-4-(2-iodanylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-cyclopropyl-4-(2-iodophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-cyclopropyl-4-(2-iodophenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-cyclopropyl-4-(2-iodophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-cyclopropyl-4-(2-iodophenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H12IN3O2S MolecularWeight: 401.22275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3I)SCC(=O)O

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3I)SCC(=O)O

InChI

InChI=1S/C13H12IN3O2S/c14-9-3-1-2-4-10(9)17-12(8-5-6-8)15-16-13(17)20-7-11(18)19/h1-4,8H,5-7H2,(H,18,19)