1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-(4-fluorophenyl)pyrazole-3-carbonitrile

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-(4-fluorophenyl)pyrazole-3-carbonitrile Openeye Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluorophenyl)pyrazole-3-carbonitrile CAS Name: 1-[(3S)-1,1-dioxo-3-thiolanyl]-5-(4-fluorophenyl)-3-pyrazolecarbonitrile IUPAC Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluorophenyl)pyrazole-3-carbonitrile Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-5-(4-fluorophenyl)pyrazole-3-carbonitrile Formula: C14H12FN3O2S MolecularWeight: 305.327383

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C(=CC(=N2)C#N)C3=CC=C(C=C3)F

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N2C(=CC(=N2)C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C14H12FN3O2S/c15-11-3-1-10(2-4-11)14-7-12(8-16)17-18(14)13-5-6-21(19,20)9-13/h1-4,7,13H,5-6,9H2/t13-/m0/s1