1-bromanyl-2-isothiocyanato-3-nitro-5-(trifluoromethyl)benzene

Systemtic Name: 1-bromanyl-2-isothiocyanato-3-nitro-5-(trifluoromethyl)benzene Openeye Name: 1-bromo-2-isothiocyanato-3-nitro-5-(trifluoromethyl)benzene CAS Name: 1-bromo-2-isothiocyanato-3-nitro-5-(trifluoromethyl)benzene IUPAC Name: 1-bromo-2-isothiocyanato-3-nitro-5-(trifluoromethyl)benzene Traditional Name: 1-bromo-2-isothiocyanato-3-nitro-5-(trifluoromethyl)benzene Formula: C8H2BrF3N2O2S MolecularWeight: 327.07789

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])N=C=S)Br)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])N=C=S)Br)C(F)(F)F

InChI

InChI=1S/C8H2BrF3N2O2S/c9-5-1-4(8(10,11)12)2-6(14(15)16)7(5)13-3-17/h1-2H