3-bromanyl-4-(phenylmethylsulfanyl)isothiochromenylium tetrafluoroborate

Systemtic Name: 3-bromanyl-4-(phenylmethylsulfanyl)isothiochromenylium tetrafluoroborate Openeye Name: 4-benzylsulfanyl-3-bromo-isothiochromenylium tetrafluoroborate CAS Name: 3-bromo-4-(phenylmethylthio)-2-benzothiopyrylium tetrafluoroborate IUPAC Name: 4-benzylsulfanyl-3-bromoisothiochromenylium tetrafluoroborate Traditional Name: 4-(benzylthio)-3-bromo-2-benzothiopyrylium tetrafluoroborate Formula: C16H12BBrF4S2 MolecularWeight: 435.105093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C1=CC=C(C=C1)CSC2=C([S+]=CC3=CC=CC=C32)Br

Isomeric SMILES

[B-](F)(F)(F)F.C1=CC=C(C=C1)CSC2=C([S+]=CC3=CC=CC=C32)Br

InChI

InChI=1S/C16H12BrS2.BF4/c17-16-15(18-10-12-6-2-1-3-7-12)14-9-5-4-8-13(14)11-19-16;2-1(3,4)5/h1-9,11H,10H2;/q+1;-1