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

Systemtic Name: (2Z)-3-methyl-2-[(6-methyl-2-methylsulfanyl-1-phenyl-pyrimidin-1-ium-4-yl)methylidene]-1,3-benzothiazole Openeye Name: (2Z)-3-methyl-2-[(6-methyl-2-methylsulfanyl-1-phenyl-pyrimidin-1-ium-4-yl)methylene]-1,3-benzothiazole CAS Name: (2Z)-3-methyl-2-[[6-methyl-2-(methylthio)-1-phenyl-4-pyrimidin-1-iumyl]methylidene]-1,3-benzothiazole IUPAC Name: (2Z)-3-methyl-2-[(6-methyl-2-methylsulfanyl-1-phenylpyrimidin-1-ium-4-yl)methylidene]-1,3-benzothiazole Traditional Name: (2Z)-3-methyl-2-[[6-methyl-2-(methylthio)-1-phenyl-pyrimidin-1-ium-4-yl]methylene]-1,3-benzothiazole Formula: C21H20N3S2+ MolecularWeight: 378.5336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NC(=C1)C=C2N(C3=CC=CC=C3S2)C)SC)C4=CC=CC=C4

Isomeric SMILES

CC1=[N+](C(=NC(=C1)/C=C\2/N(C3=CC=CC=C3S2)C)SC)C4=CC=CC=C4

InChI

InChI=1S/C21H20N3S2/c1-15-13-16(14-20-23(2)18-11-7-8-12-19(18)26-20)22-21(25-3)24(15)17-9-5-4-6-10-17/h4-14H,1-3H3/q+1