2-(4-methoxyphenyl)-1-phenyl-3-phenylsulfanyl-1-benzothiophen-1-ium chloride

Systemtic Name: 2-(4-methoxyphenyl)-1-phenyl-3-phenylsulfanyl-1-benzothiophen-1-ium chloride Openeye Name: 2-(4-methoxyphenyl)-1-phenyl-3-phenylsulfanyl-benzothiophen-1-ium chloride CAS Name: 2-(4-methoxyphenyl)-1-phenyl-3-(phenylthio)-1-benzothiophen-1-ium chloride IUPAC Name: 2-(4-methoxyphenyl)-1-phenyl-3-phenylsulfanyl-1-benzothiophen-1-ium chloride Traditional Name: 2-(4-methoxyphenyl)-1-phenyl-3-(phenylthio)benzothiophen-1-ium chloride Formula: C27H21ClOS2 MolecularWeight: 461.03804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3[S+]2C4=CC=CC=C4)SC5=CC=CC=C5.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3[S+]2C4=CC=CC=C4)SC5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C27H21OS2.ClH/c1-28-21-18-16-20(17-19-21)27-26(29-22-10-4-2-5-11-22)24-14-8-9-15-25(24)30(27)23-12-6-3-7-13-23;/h2-19H,1H3;1H/q+1;/p-1