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

Systemtic Name: 4-[3,5-dicyclopropyl-1-(phenylsulfonylmethyl)pyrazol-4-yl]oxybenzenecarbonitrile Openeye Name: 4-[1-(benzenesulfonylmethyl)-3,5-dicyclopropyl-pyrazol-4-yl]oxybenzonitrile CAS Name: 4-[[1-(benzenesulfonylmethyl)-3,5-dicyclopropyl-4-pyrazolyl]oxy]benzonitrile IUPAC Name: 4-[1-(benzenesulfonylmethyl)-3,5-dicyclopropylpyrazol-4-yl]oxybenzonitrile Traditional Name: 4-[1-(besylmethyl)-3,5-dicyclopropyl-pyrazol-4-yl]oxybenzonitrile Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C(=NN2CS(=O)(=O)C3=CC=CC=C3)C4CC4)OC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CC1C2=C(C(=NN2CS(=O)(=O)C3=CC=CC=C3)C4CC4)OC5=CC=C(C=C5)C#N

InChI

InChI=1S/C23H21N3O3S/c24-14-16-6-12-19(13-7-16)29-23-21(17-8-9-17)25-26(22(23)18-10-11-18)15-30(27,28)20-4-2-1-3-5-20/h1-7,12-13,17-18H,8-11,15H2