2-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-1-methylsulfanyl-ethenyl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-1-methylsulfanyl-ethenyl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-1-methylsulfanyl-vinyl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-1-(methylthio)ethenyl]thio]-1-phenylethanone IUPAC Name: 2-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-1-methylsulfanylethenyl]sulfanyl-1-phenylethanone Traditional Name: 2-[[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-1-(methylthio)vinyl]thio]-1-phenyl-ethanone Formula: C19H18NOS3+ MolecularWeight: 372.54732

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C=C(SC)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)/C=C(\SC)/SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H18NOS3/c1-20-15-10-6-7-11-17(15)24-18(20)12-19(22-2)23-13-16(21)14-8-4-3-5-9-14/h3-12H,13H2,1-2H3/q+1/b19-12+