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

Systemtic Name: (2Z)-3-methyl-2-[[6-methyl-1-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-ium-4-yl]methylidene]-1,3-benzothiazole Openeye Name: (2Z)-2-[(2-benzylsulfanyl-6-methyl-1-phenyl-pyrimidin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole CAS Name: (2Z)-3-methyl-2-[[6-methyl-1-phenyl-2-(phenylmethylthio)-4-pyrimidin-1-iumyl]methylidene]-1,3-benzothiazole IUPAC Name: (2Z)-2-[(2-benzylsulfanyl-6-methyl-1-phenylpyrimidin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole Traditional Name: (2Z)-2-[[2-(benzylthio)-6-methyl-1-phenyl-pyrimidin-1-ium-4-yl]methylene]-3-methyl-1,3-benzothiazole Formula: C27H24N3S2+ MolecularWeight: 454.62956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NC(=C1)C=C2N(C3=CC=CC=C3S2)C)SCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=[N+](C(=NC(=C1)/C=C\2/N(C3=CC=CC=C3S2)C)SCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N3S2/c1-20-17-22(18-26-29(2)24-15-9-10-16-25(24)32-26)28-27(30(20)23-13-7-4-8-14-23)31-19-21-11-5-3-6-12-21/h3-18H,19H2,1-2H3/q+1