[3,5-bis(trifluoromethyl)phenyl]-isothiocyanato-methanone

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]-isothiocyanato-methanone Openeye Name: 3,5-bis(trifluoromethyl)benzoyl isothiocyanate CAS Name: [3,5-bis(trifluoromethyl)phenyl]-isothiocyanatomethanone IUPAC Name: 3,5-bis(trifluoromethyl)benzoyl isothiocyanate Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-isothiocyanato-methanone Formula: C10H3F6NOS MolecularWeight: 299.192339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)N=C=S

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)N=C=S

InChI

InChI=1S/C10H3F6NOS/c11-9(12,13)6-1-5(8(18)17-4-19)2-7(3-6)10(14,15)16/h1-3H