S-[2-(2-iodanylphenyl)ethyl] 2-(azidomethyl)benzenecarbothioate

Systemtic Name: S-[2-(2-iodanylphenyl)ethyl] 2-(azidomethyl)benzenecarbothioate Openeye Name: S-[2-(2-iodophenyl)ethyl] 2-(azidomethyl)benzenecarbothioate CAS Name: 2-(azidomethyl)benzenecarbothioic acid S-[2-(2-iodophenyl)ethyl] ester IUPAC Name: S-[2-(2-iodophenyl)ethyl] 2-(azidomethyl)benzenecarbothioate Traditional Name: 2-(azidomethyl)thiobenzoic acid S-[2-(2-iodophenyl)ethyl] ester Formula: C16H14IN3OS MolecularWeight: 423.27133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCSC(=O)C2=CC=CC=C2CN=[N+]=[N-])I

Isomeric SMILES

C1=CC=C(C(=C1)CCSC(=O)C2=CC=CC=C2CN=[N+]=[N-])I

InChI

InChI=1S/C16H14IN3OS/c17-15-8-4-2-5-12(15)9-10-22-16(21)14-7-3-1-6-13(14)11-19-20-18/h1-8H,9-11H2