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

Systemtic Name: 4-[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-cyclobutyl-3-methyl-pyrazol-4-yl]oxy-2,6-dimethyl-benzenecarbonitrile Openeye Name: 4-[5-cyclobutyl-1-(1,1-dioxothiolan-3-yl)-3-methyl-pyrazol-4-yl]oxy-2,6-dimethyl-benzonitrile CAS Name: 4-[[5-cyclobutyl-1-(1,1-dioxo-3-thiolanyl)-3-methyl-4-pyrazolyl]oxy]-2,6-dimethylbenzonitrile IUPAC Name: 4-[5-cyclobutyl-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazol-4-yl]oxy-2,6-dimethylbenzonitrile Traditional Name: 4-[5-cyclobutyl-1-(1,1-diketothiolan-3-yl)-3-methyl-pyrazol-4-yl]oxy-2,6-dimethyl-benzonitrile Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C#N)C)OC2=C(N(N=C2C)C3CCS(=O)(=O)C3)C4CCC4

Isomeric SMILES

CC1=CC(=CC(=C1C#N)C)OC2=C(N(N=C2C)C3CCS(=O)(=O)C3)C4CCC4

InChI

InChI=1S/C21H25N3O3S/c1-13-9-18(10-14(2)19(13)11-22)27-21-15(3)23-24(20(21)16-5-4-6-16)17-7-8-28(25,26)12-17/h9-10,16-17H,4-8,12H2,1-3H3