3-bromanyl-4-(phenylmethylsulfanyl)isothiochromenylium

Systemtic Name: 3-bromanyl-4-(phenylmethylsulfanyl)isothiochromenylium Openeye Name: 4-benzylsulfanyl-3-bromo-isothiochromenylium CAS Name: 3-bromo-4-(phenylmethylthio)-2-benzothiopyrylium IUPAC Name: 4-benzylsulfanyl-3-bromoisothiochromenylium Traditional Name: 4-(benzylthio)-3-bromo-2-benzothiopyrylium Formula: C16H12BrS2+ MolecularWeight: 348.30048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C([S+]=CC3=CC=CC=C32)Br

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C([S+]=CC3=CC=CC=C32)Br

InChI

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