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

Systemtic Name: 4-[1-[1,1-bis(oxidanylidene)thietan-3-yl]-5-cyclopropyl-3-methyl-pyrazol-4-yl]oxy-2,6-dimethyl-benzenecarbonitrile Openeye Name: 4-[5-cyclopropyl-1-(1,1-dioxothietan-3-yl)-3-methyl-pyrazol-4-yl]oxy-2,6-dimethyl-benzonitrile CAS Name: 4-[[5-cyclopropyl-1-(1,1-dioxo-3-thietanyl)-3-methyl-4-pyrazolyl]oxy]-2,6-dimethylbenzonitrile IUPAC Name: 4-[5-cyclopropyl-1-(1,1-dioxothietan-3-yl)-3-methylpyrazol-4-yl]oxy-2,6-dimethylbenzonitrile Traditional Name: 4-[5-cyclopropyl-1-(1,1-diketothietan-3-yl)-3-methyl-pyrazol-4-yl]oxy-2,6-dimethyl-benzonitrile Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C#N)C)OC2=C(N(N=C2C)C3CS(=O)(=O)C3)C4CC4

Isomeric SMILES

CC1=CC(=CC(=C1C#N)C)OC2=C(N(N=C2C)C3CS(=O)(=O)C3)C4CC4

InChI

InChI=1S/C19H21N3O3S/c1-11-6-16(7-12(2)17(11)8-20)25-19-13(3)21-22(18(19)14-4-5-14)15-9-26(23,24)10-15/h6-7,14-15H,4-5,9-10H2,1-3H3