3-chloranyl-4-[3,5-dicyclopropyl-1-(methylsulfonylmethyl)pyrazol-4-yl]oxy-benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[3,5-dicyclopropyl-1-(methylsulfonylmethyl)pyrazol-4-yl]oxy-benzenecarbonitrile Openeye Name: 3-chloro-4-[3,5-dicyclopropyl-1-(methylsulfonylmethyl)pyrazol-4-yl]oxy-benzonitrile CAS Name: 3-chloro-4-[[3,5-dicyclopropyl-1-(methylsulfonylmethyl)-4-pyrazolyl]oxy]benzonitrile IUPAC Name: 3-chloro-4-[3,5-dicyclopropyl-1-(methylsulfonylmethyl)pyrazol-4-yl]oxybenzonitrile Traditional Name: 3-chloro-4-[3,5-dicyclopropyl-1-(mesylmethyl)pyrazol-4-yl]oxy-benzonitrile Formula: C18H18ClN3O3S MolecularWeight: 391.87182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CN1C(=C(C(=N1)C2CC2)OC3=C(C=C(C=C3)C#N)Cl)C4CC4

Isomeric SMILES

CS(=O)(=O)CN1C(=C(C(=N1)C2CC2)OC3=C(C=C(C=C3)C#N)Cl)C4CC4

InChI

InChI=1S/C18H18ClN3O3S/c1-26(23,24)10-22-17(13-5-6-13)18(16(21-22)12-3-4-12)25-15-7-2-11(9-20)8-14(15)19/h2,7-8,12-13H,3-6,10H2,1H3