2-(1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)methylimino]-6-(trifluoromethyl)pyridazin-2-ium-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)methylimino]-6-(trifluoromethyl)pyridazin-2-ium-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)methylimino]-6-(trifluoromethyl)pyridazin-2-ium-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)methylimino]-6-(trifluoromethyl)-3-pyridazin-2-iumone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)methylimino]-6-(trifluoromethyl)pyridazin-2-ium-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-p-anisylimino-6-(trifluoromethyl)pyridazin-2-ium-3-one Formula: C20H14F3N4O2S+ MolecularWeight: 431.41097

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN=C2C=C(N=[N+](C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)CN=C2C=C(N=[N+](C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F

InChI

InChI=1S/C20H14F3N4O2S/c1-29-13-8-6-12(7-9-13)11-24-15-10-17(20(21,22)23)26-27(18(15)28)19-25-14-4-2-3-5-16(14)30-19/h2-10H,11H2,1H3/q+1