4-[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dicyclopropyl-pyrazol-4-yl]oxy-2,6-dimethyl-benzenecarbonitrile

Systemtic Name: 4-[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dicyclopropyl-pyrazol-4-yl]oxy-2,6-dimethyl-benzenecarbonitrile Openeye Name: 4-[3,5-dicyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]oxy-2,6-dimethyl-benzonitrile CAS Name: 4-[[3,5-dicyclopropyl-1-(1,1-dioxo-3-thiolanyl)-4-pyrazolyl]oxy]-2,6-dimethylbenzonitrile IUPAC Name: 4-[3,5-dicyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]oxy-2,6-dimethylbenzonitrile Traditional Name: 4-[3,5-dicyclopropyl-1-(1,1-diketothiolan-3-yl)pyrazol-4-yl]oxy-2,6-dimethyl-benzonitrile Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C#N)C)OC2=C(N(N=C2C3CC3)C4CCS(=O)(=O)C4)C5CC5

Isomeric SMILES

CC1=CC(=CC(=C1C#N)C)OC2=C(N(N=C2C3CC3)C4CCS(=O)(=O)C4)C5CC5

InChI

InChI=1S/C22H25N3O3S/c1-13-9-18(10-14(2)19(13)11-23)28-22-20(15-3-4-15)24-25(21(22)16-5-6-16)17-7-8-29(26,27)12-17/h9-10,15-17H,3-8,12H2,1-2H3