4-[4-(1,3-benzothiazol-2-yl)-2,6-dimethyl-pyridin-1-ium-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yl)-2,6-dimethyl-pyridin-1-ium-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[4-(1,3-benzothiazol-2-yl)-2,6-dimethyl-pyridin-1-ium-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[4-(1,3-benzothiazol-2-yl)-2,6-dimethyl-1-pyridin-1-iumyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)-2,6-dimethylpyridin-1-ium-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)-2,6-dimethyl-pyridin-1-ium-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C25H23N4OS+ MolecularWeight: 427.54132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC(=CC(=[N+]1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H23N4OS/c1-16-14-19(24-26-21-12-8-9-13-22(21)31-24)15-17(2)28(16)23-18(3)27(4)29(25(23)30)20-10-6-5-7-11-20/h5-15H,1-4H3/q+1