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

Systemtic Name: 4-[1-[1,1-bis(oxidanylidene)thietan-3-yl]-3-cyclopropyl-5-methyl-pyrazol-4-yl]oxy-2-chloranyl-benzenecarbonitrile Openeye Name: 2-chloro-4-[3-cyclopropyl-1-(1,1-dioxothietan-3-yl)-5-methyl-pyrazol-4-yl]oxy-benzonitrile CAS Name: 2-chloro-4-[[3-cyclopropyl-1-(1,1-dioxo-3-thietanyl)-5-methyl-4-pyrazolyl]oxy]benzonitrile IUPAC Name: 2-chloro-4-[3-cyclopropyl-1-(1,1-dioxothietan-3-yl)-5-methylpyrazol-4-yl]oxybenzonitrile Traditional Name: 2-chloro-4-[3-cyclopropyl-1-(1,1-diketothietan-3-yl)-5-methyl-pyrazol-4-yl]oxy-benzonitrile Formula: C17H16ClN3O3S MolecularWeight: 377.84524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2CS(=O)(=O)C2)C3CC3)OC4=CC(=C(C=C4)C#N)Cl

Isomeric SMILES

CC1=C(C(=NN1C2CS(=O)(=O)C2)C3CC3)OC4=CC(=C(C=C4)C#N)Cl

InChI

InChI=1S/C17H16ClN3O3S/c1-10-17(24-14-5-4-12(7-19)15(18)6-14)16(11-2-3-11)20-21(10)13-8-25(22,23)9-13/h4-6,11,13H,2-3,8-9H2,1H3