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

Systemtic Name: 2-[[4-azanyl-5-(4-iodophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-amino-5-(4-iodophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-amino-5-(4-iodophenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-amino-5-(4-iodophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-amino-5-(4-iodophenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C10H9IN4O2S MolecularWeight: 376.17353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(N2N)SCC(=O)O)I

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(N2N)SCC(=O)O)I

InChI

InChI=1S/C10H9IN4O2S/c11-7-3-1-6(2-4-7)9-13-14-10(15(9)12)18-5-8(16)17/h1-4H,5,12H2,(H,16,17)