2-methyl-1-phenyl-3-phenylsulfanyl-1-benzothiophen-1-ium chloride

Systemtic Name: 2-methyl-1-phenyl-3-phenylsulfanyl-1-benzothiophen-1-ium chloride Openeye Name: 2-methyl-1-phenyl-3-phenylsulfanyl-benzothiophen-1-ium chloride CAS Name: 2-methyl-1-phenyl-3-(phenylthio)-1-benzothiophen-1-ium chloride IUPAC Name: 2-methyl-1-phenyl-3-phenylsulfanyl-1-benzothiophen-1-ium chloride Traditional Name: 2-methyl-1-phenyl-3-(phenylthio)benzothiophen-1-ium chloride Formula: C21H17ClS2 MolecularWeight: 368.94268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2[S+]1C3=CC=CC=C3)SC4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2[S+]1C3=CC=CC=C3)SC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H17S2.ClH/c1-16-21(22-17-10-4-2-5-11-17)19-14-8-9-15-20(19)23(16)18-12-6-3-7-13-18;/h2-15H,1H3;1H/q+1;/p-1