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

Systemtic Name: 4-[1-[1,1-bis(oxidanylidene)thietan-3-yl]-3,5-dicyclopropyl-pyrazol-4-yl]oxy-2,6-dimethyl-benzenecarbonitrile Openeye Name: 4-[3,5-dicyclopropyl-1-(1,1-dioxothietan-3-yl)pyrazol-4-yl]oxy-2,6-dimethyl-benzonitrile CAS Name: 4-[[3,5-dicyclopropyl-1-(1,1-dioxo-3-thietanyl)-4-pyrazolyl]oxy]-2,6-dimethylbenzonitrile IUPAC Name: 4-[3,5-dicyclopropyl-1-(1,1-dioxothietan-3-yl)pyrazol-4-yl]oxy-2,6-dimethylbenzonitrile Traditional Name: 4-[3,5-dicyclopropyl-1-(1,1-diketothietan-3-yl)pyrazol-4-yl]oxy-2,6-dimethyl-benzonitrile Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C#N)C)OC2=C(N(N=C2C3CC3)C4CS(=O)(=O)C4)C5CC5

Isomeric SMILES

CC1=CC(=CC(=C1C#N)C)OC2=C(N(N=C2C3CC3)C4CS(=O)(=O)C4)C5CC5

InChI

InChI=1S/C21H23N3O3S/c1-12-7-17(8-13(2)18(12)9-22)27-21-19(14-3-4-14)23-24(20(21)15-5-6-15)16-10-28(25,26)11-16/h7-8,14-16H,3-6,10-11H2,1-2H3