2-isocyanato-5-(trichloromethyl)benzenethiol

Systemtic Name: 2-isocyanato-5-(trichloromethyl)benzenethiol Openeye Name: 2-isocyanato-5-(trichloromethyl)benzenethiol CAS Name: 2-isocyanato-5-(trichloromethyl)benzenethiol IUPAC Name: 2-isocyanato-5-(trichloromethyl)benzenethiol Traditional Name: 2-isocyanato-5-(trichloromethyl)benzenethiol Formula: C8H4Cl3NOS MolecularWeight: 268.54746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(Cl)(Cl)Cl)S)N=C=O

Isomeric SMILES

C1=CC(=C(C=C1C(Cl)(Cl)Cl)S)N=C=O

InChI

InChI=1S/C8H4Cl3NOS/c9-8(10,11)5-1-2-6(12-4-13)7(14)3-5/h1-3,14H