(2Z)-3-methyl-2-[(2-methylsulfanyl-1,6-diphenyl-pyrimidin-1-ium-4-yl)methylidene]-1,3-benzothiazole

Systemtic Name: (2Z)-3-methyl-2-[(2-methylsulfanyl-1,6-diphenyl-pyrimidin-1-ium-4-yl)methylidene]-1,3-benzothiazole Openeye Name: (2Z)-3-methyl-2-[(2-methylsulfanyl-1,6-diphenyl-pyrimidin-1-ium-4-yl)methylene]-1,3-benzothiazole CAS Name: (2Z)-3-methyl-2-[[2-(methylthio)-1,6-diphenyl-4-pyrimidin-1-iumyl]methylidene]-1,3-benzothiazole IUPAC Name: (2Z)-3-methyl-2-[(2-methylsulfanyl-1,6-diphenylpyrimidin-1-ium-4-yl)methylidene]-1,3-benzothiazole Traditional Name: (2Z)-3-methyl-2-[[2-(methylthio)-1,6-diphenyl-pyrimidin-1-ium-4-yl]methylene]-1,3-benzothiazole Formula: C26H22N3S2+ MolecularWeight: 440.60298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=CC3=NC(=[N+](C(=C3)C4=CC=CC=C4)C5=CC=CC=C5)SC

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C\C3=NC(=[N+](C(=C3)C4=CC=CC=C4)C5=CC=CC=C5)SC

InChI

InChI=1S/C26H22N3S2/c1-28-22-15-9-10-16-24(22)31-25(28)18-20-17-23(19-11-5-3-6-12-19)29(26(27-20)30-2)21-13-7-4-8-14-21/h3-18H,1-2H3/q+1