2-(4-methylphenyl)-1-phenyl-3-phenylsulfanyl-1-benzothiophen-1-ium

Systemtic Name: 2-(4-methylphenyl)-1-phenyl-3-phenylsulfanyl-1-benzothiophen-1-ium Openeye Name: 1-phenyl-3-phenylsulfanyl-2-(p-tolyl)benzothiophen-1-ium CAS Name: 2-(4-methylphenyl)-1-phenyl-3-(phenylthio)-1-benzothiophen-1-ium IUPAC Name: 2-(4-methylphenyl)-1-phenyl-3-phenylsulfanyl-1-benzothiophen-1-ium Traditional Name: 1-phenyl-3-(phenylthio)-2-(p-tolyl)benzothiophen-1-ium Formula: C27H21S2+ MolecularWeight: 409.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3[S+]2C4=CC=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3[S+]2C4=CC=CC=C4)SC5=CC=CC=C5

InChI

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