N-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-phenyl-pyrazol-3-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-phenyl-pyrazol-3-yl]-4-fluoranyl-benzamide Openeye Name: N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-pyrazol-3-yl]-4-fluoro-benzamide CAS Name: N-[2-[(3S)-1,1-dioxo-3-thiolanyl]-5-phenyl-3-pyrazolyl]-4-fluorobenzamide IUPAC Name: N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-phenylpyrazol-3-yl]-4-fluorobenzamide Traditional Name: N-[2-[(3S)-1,1-diketothiolan-3-yl]-5-phenyl-pyrazol-3-yl]-4-fluoro-benzamide Formula: C20H18FN3O3S MolecularWeight: 399.438623

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C(=CC(=N2)C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N2C(=CC(=N2)C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H18FN3O3S/c21-16-8-6-15(7-9-16)20(25)22-19-12-18(14-4-2-1-3-5-14)23-24(19)17-10-11-28(26,27)13-17/h1-9,12,17H,10-11,13H2,(H,22,25)/t17-/m0/s1