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

Systemtic Name: (2Z)-1-methyl-2-[(6-methyl-2-methylsulfanyl-1-phenyl-pyrimidin-1-ium-4-yl)methylidene]benzo[e][1,3]benzothiazole Openeye Name: (2Z)-1-methyl-2-[(6-methyl-2-methylsulfanyl-1-phenyl-pyrimidin-1-ium-4-yl)methylene]benzo[e][1,3]benzothiazole CAS Name: (2Z)-1-methyl-2-[[6-methyl-2-(methylthio)-1-phenyl-4-pyrimidin-1-iumyl]methylidene]benzo[e][1,3]benzothiazole IUPAC Name: (2Z)-1-methyl-2-[(6-methyl-2-methylsulfanyl-1-phenylpyrimidin-1-ium-4-yl)methylidene]benzo[e][1,3]benzothiazole Traditional Name: (2Z)-1-methyl-2-[[6-methyl-2-(methylthio)-1-phenyl-pyrimidin-1-ium-4-yl]methylene]benzo[e][1,3]benzothiazole Formula: C25H22N3S2+ MolecularWeight: 428.59228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NC(=C1)C=C2N(C3=C(S2)C=CC4=CC=CC=C43)C)SC)C5=CC=CC=C5

Isomeric SMILES

CC1=[N+](C(=NC(=C1)/C=C\2/N(C3=C(S2)C=CC4=CC=CC=C43)C)SC)C5=CC=CC=C5

InChI

InChI=1S/C25H22N3S2/c1-17-15-19(26-25(29-3)28(17)20-10-5-4-6-11-20)16-23-27(2)24-21-12-8-7-9-18(21)13-14-22(24)30-23/h4-16H,1-3H3/q+1