2-bromanyl-3-ethyl-4-phenyl-1,3-thiazol-3-ium; fluoranyl-bis(oxidanidyl)borane

Systemtic Name: 2-bromanyl-3-ethyl-4-phenyl-1,3-thiazol-3-ium; fluoranyl-bis(oxidanidyl)borane Openeye Name: 2-bromo-3-ethyl-4-phenyl-thiazol-3-ium; fluoro(dioxido)borane CAS Name: 2-bromo-3-ethyl-4-phenylthiazol-3-ium; fluoro(dioxido)borane IUPAC Name: 2-bromo-3-ethyl-4-phenyl-1,3-thiazol-3-ium; fluoro(dioxido)borane Traditional Name: 2-bromo-3-ethyl-4-phenyl-thiazol-3-ium; fluoro(dioxido)borane Formula: C22H22BBr2FN2O2S2 MolecularWeight: 600.169683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B([O-])([O-])F.CC[N+]1=C(SC=C1C2=CC=CC=C2)Br.CC[N+]1=C(SC=C1C2=CC=CC=C2)Br

Isomeric SMILES

B([O-])([O-])F.CC[N+]1=C(SC=C1C2=CC=CC=C2)Br.CC[N+]1=C(SC=C1C2=CC=CC=C2)Br

InChI

InChI=1S/2C11H11BrNS.BFO2/c2*1-2-13-10(8-14-11(13)12)9-6-4-3-5-7-9;2-1(3)4/h2*3-8H,2H2,1H3;/q2*+1;-2