3-chloranyl-5-[2-fluoranyl-6-methylsulfonyl-3-(2H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]benzenecarbonitrile

Systemtic Name: 3-chloranyl-5-[2-fluoranyl-6-methylsulfonyl-3-(2H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]benzenecarbonitrile Openeye Name: 3-chloro-5-[2-fluoro-6-methylsulfonyl-3-(2H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]benzonitrile CAS Name: 3-chloro-5-[2-fluoro-6-methylsulfonyl-3-(2H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]benzonitrile IUPAC Name: 3-chloro-5-[2-fluoro-6-methylsulfonyl-3-(2H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]benzonitrile Traditional Name: 3-chloro-5-[2-fluoro-6-mesyl-3-(2H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]benzonitrile Formula: C20H13ClFN5O3S MolecularWeight: 457.865323

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)CC2=C3C=CN=NC3=NN2)F)OC4=CC(=CC(=C4)C#N)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)CC2=C3C=CN=NC3=NN2)F)OC4=CC(=CC(=C4)C#N)Cl

InChI

InChI=1S/C20H13ClFN5O3S/c1-31(28,29)17-3-2-12(8-16-15-4-5-24-26-20(15)27-25-16)18(22)19(17)30-14-7-11(10-23)6-13(21)9-14/h2-7,9H,8H2,1H3,(H,25,26,27)