5-[3-(4-chloranylphenoxy)propylsulfonyl]-1H-1,2,4-triazol-3-amine

Systemtic Name: 5-[3-(4-chloranylphenoxy)propylsulfonyl]-1H-1,2,4-triazol-3-amine Openeye Name: 5-[3-(4-chlorophenoxy)propylsulfonyl]-1H-1,2,4-triazol-3-amine CAS Name: 5-[3-(4-chlorophenoxy)propylsulfonyl]-1H-1,2,4-triazol-3-amine IUPAC Name: 5-[3-(4-chlorophenoxy)propylsulfonyl]-1H-1,2,4-triazol-3-amine Traditional Name: [5-[3-(4-chlorophenoxy)propylsulfonyl]-1H-1,2,4-triazol-3-yl]amine Formula: C11H13ClN4O3S MolecularWeight: 316.76392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCCS(=O)(=O)C2=NC(=NN2)N)Cl

Isomeric SMILES

C1=CC(=CC=C1OCCCS(=O)(=O)C2=NC(=NN2)N)Cl

InChI

InChI=1S/C11H13ClN4O3S/c12-8-2-4-9(5-3-8)19-6-1-7-20(17,18)11-14-10(13)15-16-11/h2-5H,1,6-7H2,(H3,13,14,15,16)