(2E)-2-[[1-ethyl-5-[(4-methylphenyl)methyl]pyrimidin-1-ium-2-yl]methylidene]-3-methyl-6-methylsulfonyl-1,3-benzothiazole

Systemtic Name: (2E)-2-[[1-ethyl-5-[(4-methylphenyl)methyl]pyrimidin-1-ium-2-yl]methylidene]-3-methyl-6-methylsulfonyl-1,3-benzothiazole Openeye Name: (2E)-2-[[1-ethyl-5-(p-tolylmethyl)pyrimidin-1-ium-2-yl]methylene]-3-methyl-6-methylsulfonyl-1,3-benzothiazole CAS Name: (2E)-2-[[1-ethyl-5-[(4-methylphenyl)methyl]-2-pyrimidin-1-iumyl]methylidene]-3-methyl-6-methylsulfonyl-1,3-benzothiazole IUPAC Name: (2E)-2-[[1-ethyl-5-[(4-methylphenyl)methyl]pyrimidin-1-ium-2-yl]methylidene]-3-methyl-6-methylsulfonyl-1,3-benzothiazole Traditional Name: (2E)-2-[[1-ethyl-5-(4-methylbenzyl)pyrimidin-1-ium-2-yl]methylene]-6-mesyl-3-methyl-1,3-benzothiazole Formula: C24H26N3O2S2+ MolecularWeight: 452.61214

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=CN=C1C=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)C)CC4=CC=C(C=C4)C

Isomeric SMILES

CC[N+]1=CC(=CN=C1/C=C/2\N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)C)CC4=CC=C(C=C4)C

InChI

InChI=1S/C24H26N3O2S2/c1-5-27-16-19(12-18-8-6-17(2)7-9-18)15-25-23(27)14-24-26(3)21-11-10-20(31(4,28)29)13-22(21)30-24/h6-11,13-16H,5,12H2,1-4H3/q+1