1,2-diphenyl-3-phenylsulfanyl-1-benzothiophen-1-ium chloride

Systemtic Name: 1,2-diphenyl-3-phenylsulfanyl-1-benzothiophen-1-ium chloride Openeye Name: 1,2-diphenyl-3-phenylsulfanyl-benzothiophen-1-ium chloride CAS Name: 1,2-diphenyl-3-(phenylthio)-1-benzothiophen-1-ium chloride IUPAC Name: 1,2-diphenyl-3-phenylsulfanyl-1-benzothiophen-1-ium chloride Traditional Name: 1,2-diphenyl-3-(phenylthio)benzothiophen-1-ium chloride Formula: C26H19ClS2 MolecularWeight: 431.01206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3[S+]2C4=CC=CC=C4)SC5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3[S+]2C4=CC=CC=C4)SC5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C26H19S2.ClH/c1-4-12-20(13-5-1)26-25(27-21-14-6-2-7-15-21)23-18-10-11-19-24(23)28(26)22-16-8-3-9-17-22;/h1-19H;1H/q+1;/p-1