4-[3-cyclopropyl-1-(methylsulfonylmethyl)-5-(2-oxidanylpropan-2-yl)pyrazol-4-yl]oxy-2,6-dimethyl-benzenecarbonitrile

Systemtic Name: 4-[3-cyclopropyl-1-(methylsulfonylmethyl)-5-(2-oxidanylpropan-2-yl)pyrazol-4-yl]oxy-2,6-dimethyl-benzenecarbonitrile Openeye Name: 4-[3-cyclopropyl-5-(1-hydroxy-1-methyl-ethyl)-1-(methylsulfonylmethyl)pyrazol-4-yl]oxy-2,6-dimethyl-benzonitrile CAS Name: 4-[[3-cyclopropyl-5-(2-hydroxypropan-2-yl)-1-(methylsulfonylmethyl)-4-pyrazolyl]oxy]-2,6-dimethylbenzonitrile IUPAC Name: 4-[3-cyclopropyl-5-(2-hydroxypropan-2-yl)-1-(methylsulfonylmethyl)pyrazol-4-yl]oxy-2,6-dimethylbenzonitrile Traditional Name: 4-[3-cyclopropyl-5-(1-hydroxy-1-methyl-ethyl)-1-(mesylmethyl)pyrazol-4-yl]oxy-2,6-dimethyl-benzonitrile Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C#N)C)OC2=C(N(N=C2C3CC3)CS(=O)(=O)C)C(C)(C)O

Isomeric SMILES

CC1=CC(=CC(=C1C#N)C)OC2=C(N(N=C2C3CC3)CS(=O)(=O)C)C(C)(C)O

InChI

InChI=1S/C20H25N3O4S/c1-12-8-15(9-13(2)16(12)10-21)27-18-17(14-6-7-14)22-23(11-28(5,25)26)19(18)20(3,4)24/h8-9,14,24H,6-7,11H2,1-5H3