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

Systemtic Name: N-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-2-fluoranyl-benzamide Openeye Name: N-[5-tert-butyl-2-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-3-yl]-2-fluoro-benzamide CAS Name: N-[5-tert-butyl-2-[(3S)-1,1-dioxo-3-thiolanyl]-3-pyrazolyl]-2-fluorobenzamide IUPAC Name: N-[5-tert-butyl-2-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-3-yl]-2-fluorobenzamide Traditional Name: N-[5-tert-butyl-2-[(3S)-1,1-diketothiolan-3-yl]pyrazol-3-yl]-2-fluoro-benzamide Formula: C18H22FN3O3S MolecularWeight: 379.448983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC=CC=C2F)C3CCS(=O)(=O)C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC=CC=C2F)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C18H22FN3O3S/c1-18(2,3)15-10-16(20-17(23)13-6-4-5-7-14(13)19)22(21-15)12-8-9-26(24,25)11-12/h4-7,10,12H,8-9,11H2,1-3H3,(H,20,23)/t12-/m0/s1