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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-(pyridin-3-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-(3-pyridylmethylamino)-6-(trifluoromethyl)pyridazin-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-(3-pyridinylmethylamino)-6-(trifluoromethyl)-3-pyridazinone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(pyridin-3-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-(3-pyridylmethylamino)-6-(trifluoromethyl)pyridazin-3-one Formula: C18H12F3N5OS MolecularWeight: 403.38099

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N3C(=O)C(=CC(=N3)C(F)(F)F)NCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N3C(=O)C(=CC(=N3)C(F)(F)F)NCC4=CN=CC=C4

InChI

InChI=1S/C18H12F3N5OS/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/h1-9,23H,10H2