1-(4-methylsulfonylphenyl)-6-oxidanylidene-4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]oxy-pyridazine-3-carbonitrile

Systemtic Name: 1-(4-methylsulfonylphenyl)-6-oxidanylidene-4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]oxy-pyridazine-3-carbonitrile Openeye Name: 1-(4-methylsulfonylphenyl)-6-oxo-4-[[1-[5-(trifluoromethyl)pyrimidin-2-yl]-4-piperidyl]oxy]pyridazine-3-carbonitrile CAS Name: 1-(4-methylsulfonylphenyl)-6-oxo-4-[[1-[5-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinyl]oxy]-3-pyridazinecarbonitrile IUPAC Name: 1-(4-methylsulfonylphenyl)-6-oxo-4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]oxypyridazine-3-carbonitrile Traditional Name: 6-keto-1-(4-mesylphenyl)-4-[[1-[5-(trifluoromethyl)pyrimidin-2-yl]-4-piperidyl]oxy]pyridazine-3-carbonitrile Formula: C22H19F3N6O4S MolecularWeight: 520.48427

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C(=O)C=C(C(=N2)C#N)OC3CCN(CC3)C4=NC=C(C=N4)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C(=O)C=C(C(=N2)C#N)OC3CCN(CC3)C4=NC=C(C=N4)C(F)(F)F

InChI

InChI=1S/C22H19F3N6O4S/c1-36(33,34)17-4-2-15(3-5-17)31-20(32)10-19(18(11-26)29-31)35-16-6-8-30(9-7-16)21-27-12-14(13-28-21)22(23,24)25/h2-5,10,12-13,16H,6-9H2,1H3