4-[3,5-ditert-butyl-1-(methylsulfonylmethyl)pyrazol-4-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[3,5-ditert-butyl-1-(methylsulfonylmethyl)pyrazol-4-yl]oxybenzenecarbonitrile Openeye Name: 4-[3,5-ditert-butyl-1-(methylsulfonylmethyl)pyrazol-4-yl]oxybenzonitrile CAS Name: 4-[[3,5-ditert-butyl-1-(methylsulfonylmethyl)-4-pyrazolyl]oxy]benzonitrile IUPAC Name: 4-[3,5-ditert-butyl-1-(methylsulfonylmethyl)pyrazol-4-yl]oxybenzonitrile Traditional Name: 4-[3,5-ditert-butyl-1-(mesylmethyl)pyrazol-4-yl]oxybenzonitrile Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=NN1CS(=O)(=O)C)C(C)(C)C)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)C1=C(C(=NN1CS(=O)(=O)C)C(C)(C)C)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H27N3O3S/c1-19(2,3)17-16(26-15-10-8-14(12-21)9-11-15)18(20(4,5)6)23(22-17)13-27(7,24)25/h8-11H,13H2,1-7H3