2-(1,3-benzothiazol-2-yl)-4-(pyridin-3-ylmethylimino)-6-(trifluoromethyl)pyridazin-2-ium-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-(pyridin-3-ylmethylimino)-6-(trifluoromethyl)pyridazin-2-ium-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-(3-pyridylmethylimino)-6-(trifluoromethyl)pyridazin-2-ium-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-(3-pyridinylmethylimino)-6-(trifluoromethyl)-3-pyridazin-2-iumone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(pyridin-3-ylmethylimino)-6-(trifluoromethyl)pyridazin-2-ium-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-(3-pyridylmethylimino)-6-(trifluoromethyl)pyridazin-2-ium-3-one Formula: C18H11F3N5OS+ MolecularWeight: 402.37305

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)[N+]3=NC(=CC(=NCC4=CN=CC=C4)C3=O)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)[N+]3=NC(=CC(=NCC4=CN=CC=C4)C3=O)C(F)(F)F

InChI

InChI=1S/C18H11F3N5OS/c19-18(20,21)15-8-13(23-10-11-4-3-7-22-9-11)16(27)26(25-15)17-24-12-5-1-2-6-14(12)28-17/h1-9H,10H2/q+1