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

Systemtic Name: 4-[1-(5-chloranylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)-6-oxidanylidene-pyridazine-3-carbonitrile Openeye Name: 4-[[1-(5-chloropyrimidin-2-yl)-4-piperidyl]oxy]-1-(4-methylsulfonylphenyl)-6-oxo-pyridazine-3-carbonitrile CAS Name: 4-[[1-(5-chloro-2-pyrimidinyl)-4-piperidinyl]oxy]-1-(4-methylsulfonylphenyl)-6-oxo-3-pyridazinecarbonitrile IUPAC Name: 4-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)-6-oxopyridazine-3-carbonitrile Traditional Name: 4-[[1-(5-chloropyrimidin-2-yl)-4-piperidyl]oxy]-6-keto-1-(4-mesylphenyl)pyridazine-3-carbonitrile Formula: C21H19ClN6O4S MolecularWeight: 486.93136

Click to see the large picture

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)Cl

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)Cl

InChI

InChI=1S/C21H19ClN6O4S/c1-33(30,31)17-4-2-15(3-5-17)28-20(29)10-19(18(11-23)26-28)32-16-6-8-27(9-7-16)21-24-12-14(22)13-25-21/h2-5,10,12-13,16H,6-9H2,1H3