5-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-chloranyl-2-[5-(trifluoromethyl)pyridin-2-yl]pyridazin-3-one

Systemtic Name: 5-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-chloranyl-2-[5-(trifluoromethyl)pyridin-2-yl]pyridazin-3-one Openeye Name: 5-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-4-chloro-2-[5-(trifluoromethyl)-2-pyridyl]pyridazin-3-one CAS Name: 5-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-4-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]-3-pyridazinone IUPAC Name: 5-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-chloro-2-[5-(trifluoromethyl)pyridin-2-yl]pyridazin-3-one Traditional Name: 5-[4-(1,3-benzothiazol-2-yl)piperidino]-4-chloro-2-[5-(trifluoromethyl)-2-pyridyl]pyridazin-3-one Formula: C22H17ClF3N5OS MolecularWeight: 491.91649

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C4=C(C(=O)N(N=C4)C5=NC=C(C=C5)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C4=C(C(=O)N(N=C4)C5=NC=C(C=C5)C(F)(F)F)Cl

InChI

InChI=1S/C22H17ClF3N5OS/c23-19-16(12-28-31(21(19)32)18-6-5-14(11-27-18)22(24,25)26)30-9-7-13(8-10-30)20-29-15-3-1-2-4-17(15)33-20/h1-6,11-13H,7-10H2