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

Systemtic Name: 4-[1-[1,1-bis(oxidanylidene)thietan-3-yl]-3-cyclopropyl-pyrazol-4-yl]oxy-2,6-dimethyl-benzenecarbonitrile Openeye Name: 4-[3-cyclopropyl-1-(1,1-dioxothietan-3-yl)pyrazol-4-yl]oxy-2,6-dimethyl-benzonitrile CAS Name: 4-[[3-cyclopropyl-1-(1,1-dioxo-3-thietanyl)-4-pyrazolyl]oxy]-2,6-dimethylbenzonitrile IUPAC Name: 4-[3-cyclopropyl-1-(1,1-dioxothietan-3-yl)pyrazol-4-yl]oxy-2,6-dimethylbenzonitrile Traditional Name: 4-[3-cyclopropyl-1-(1,1-diketothietan-3-yl)pyrazol-4-yl]oxy-2,6-dimethyl-benzonitrile Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S/c1-11-5-15(6-12(2)16(11)7-19)24-17-8-21(14-9-25(22,23)10-14)20-18(17)13-3-4-13/h5-6,8,13-14H,3-4,9-10H2,1-2H3