2-(4-methylphenyl)-1-phenyl-3-(2-phenylsulfanylphenyl)thiiren-1-ium chloride

Systemtic Name: 2-(4-methylphenyl)-1-phenyl-3-(2-phenylsulfanylphenyl)thiiren-1-ium chloride Openeye Name: 1-phenyl-2-(2-phenylsulfanylphenyl)-3-(p-tolyl)thiiren-1-ium chloride CAS Name: 2-(4-methylphenyl)-1-phenyl-3-[2-(phenylthio)phenyl]thiiren-1-ium chloride IUPAC Name: 2-(4-methylphenyl)-1-phenyl-3-(2-phenylsulfanylphenyl)thiiren-1-ium chloride Traditional Name: 1-phenyl-2-[2-(phenylthio)phenyl]-3-(p-tolyl)thiiren-1-ium chloride Formula: C27H21ClS2 MolecularWeight: 445.03864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C([S+]2C3=CC=CC=C3)C4=CC=CC=C4SC5=CC=CC=C5.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C([S+]2C3=CC=CC=C3)C4=CC=CC=C4SC5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C27H21S2.ClH/c1-20-16-18-21(19-17-20)26-27(29(26)23-12-6-3-7-13-23)24-14-8-9-15-25(24)28-22-10-4-2-5-11-22;/h2-19H,1H3;1H/q+1;/p-1