4-[5-tert-butyl-3-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[5-tert-butyl-3-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]oxybenzenecarbonitrile Openeye Name: 4-[5-tert-butyl-3-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]oxybenzonitrile CAS Name: 4-[[5-tert-butyl-3-methyl-1-(methylsulfonylmethyl)-4-pyrazolyl]oxy]benzonitrile IUPAC Name: 4-[5-tert-butyl-3-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]oxybenzonitrile Traditional Name: 4-[5-tert-butyl-1-(mesylmethyl)-3-methyl-pyrazol-4-yl]oxybenzonitrile Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1OC2=CC=C(C=C2)C#N)C(C)(C)C)CS(=O)(=O)C

Isomeric SMILES

CC1=NN(C(=C1OC2=CC=C(C=C2)C#N)C(C)(C)C)CS(=O)(=O)C

InChI

InChI=1S/C17H21N3O3S/c1-12-15(23-14-8-6-13(10-18)7-9-14)16(17(2,3)4)20(19-12)11-24(5,21)22/h6-9H,11H2,1-5H3