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

Systemtic Name: (2Z)-3-methyl-2-[(6-methyl-2-methylsulfanyl-1-phenyl-pyrimidin-1-ium-4-yl)methylidene]-6-nitro-1,3-benzothiazole Openeye Name: (2Z)-3-methyl-2-[(6-methyl-2-methylsulfanyl-1-phenyl-pyrimidin-1-ium-4-yl)methylene]-6-nitro-1,3-benzothiazole CAS Name: (2Z)-3-methyl-2-[[6-methyl-2-(methylthio)-1-phenyl-4-pyrimidin-1-iumyl]methylidene]-6-nitro-1,3-benzothiazole IUPAC Name: (2Z)-3-methyl-2-[(6-methyl-2-methylsulfanyl-1-phenylpyrimidin-1-ium-4-yl)methylidene]-6-nitro-1,3-benzothiazole Traditional Name: (2Z)-3-methyl-2-[[6-methyl-2-(methylthio)-1-phenyl-pyrimidin-1-ium-4-yl]methylene]-6-nitro-1,3-benzothiazole Formula: C21H19N4O2S2+ MolecularWeight: 423.53116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NC(=C1)C=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])C)SC)C4=CC=CC=C4

Isomeric SMILES

CC1=[N+](C(=NC(=C1)/C=C\2/N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])C)SC)C4=CC=CC=C4

InChI

InChI=1S/C21H19N4O2S2/c1-14-11-15(22-21(28-3)24(14)16-7-5-4-6-8-16)12-20-23(2)18-10-9-17(25(26)27)13-19(18)29-20/h4-13H,1-3H3/q+1