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

Systemtic Name: (2Z)-3-methyl-2-[(6-methyl-1-phenyl-2-pyrimidin-2-ylsulfanyl-pyrimidin-1-ium-4-yl)methylidene]-1,3-benzothiazole Openeye Name: (2Z)-3-methyl-2-[(6-methyl-1-phenyl-2-pyrimidin-2-ylsulfanyl-pyrimidin-1-ium-4-yl)methylene]-1,3-benzothiazole CAS Name: (2Z)-3-methyl-2-[[6-methyl-1-phenyl-2-(2-pyrimidinylthio)-4-pyrimidin-1-iumyl]methylidene]-1,3-benzothiazole IUPAC Name: (2Z)-3-methyl-2-[(6-methyl-1-phenyl-2-pyrimidin-2-ylsulfanylpyrimidin-1-ium-4-yl)methylidene]-1,3-benzothiazole Traditional Name: (2Z)-3-methyl-2-[[6-methyl-1-phenyl-2-(2-pyrimidylthio)pyrimidin-1-ium-4-yl]methylene]-1,3-benzothiazole Formula: C24H20N5S2+ MolecularWeight: 442.5791

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NC(=C1)C=C2N(C3=CC=CC=C3S2)C)SC4=NC=CC=N4)C5=CC=CC=C5

Isomeric SMILES

CC1=[N+](C(=NC(=C1)/C=C\2/N(C3=CC=CC=C3S2)C)SC4=NC=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C24H20N5S2/c1-17-15-18(16-22-28(2)20-11-6-7-12-21(20)30-22)27-24(31-23-25-13-8-14-26-23)29(17)19-9-4-3-5-10-19/h3-16H,1-2H3/q+1