4-[1-(tert-butylsulfonylmethyl)-3,5-dicyclopropyl-pyrazol-4-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[1-(tert-butylsulfonylmethyl)-3,5-dicyclopropyl-pyrazol-4-yl]oxybenzenecarbonitrile Openeye Name: 4-[1-(tert-butylsulfonylmethyl)-3,5-dicyclopropyl-pyrazol-4-yl]oxybenzonitrile CAS Name: 4-[[1-(tert-butylsulfonylmethyl)-3,5-dicyclopropyl-4-pyrazolyl]oxy]benzonitrile IUPAC Name: 4-[1-(tert-butylsulfonylmethyl)-3,5-dicyclopropylpyrazol-4-yl]oxybenzonitrile Traditional Name: 4-[1-(tert-butylsulfonylmethyl)-3,5-dicyclopropyl-pyrazol-4-yl]oxybenzonitrile Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)CN1C(=C(C(=N1)C2CC2)OC3=CC=C(C=C3)C#N)C4CC4

Isomeric SMILES

CC(C)(C)S(=O)(=O)CN1C(=C(C(=N1)C2CC2)OC3=CC=C(C=C3)C#N)C4CC4

InChI

InChI=1S/C21H25N3O3S/c1-21(2,3)28(25,26)13-24-19(16-8-9-16)20(18(23-24)15-6-7-15)27-17-10-4-14(12-22)5-11-17/h4-5,10-11,15-16H,6-9,13H2,1-3H3