N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxamide

Systemtic Name: N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: N-[(4S)-6-fluorothiochroman-4-yl]-1-phenyl-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: N-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-1-phenyl-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: N-[(4S)-6-fluorothiochroman-4-yl]-1-phenyl-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C24H19FN4OS MolecularWeight: 430.497263

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C([C@H]1NC(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5)C=C(C=C2)F

InChI

InChI=1S/C24H19FN4OS/c25-17-8-9-22-19(13-17)21(10-12-31-22)27-24(30)20-15-29(18-6-2-1-3-7-18)28-23(20)16-5-4-11-26-14-16/h1-9,11,13-15,21H,10,12H2,(H,27,30)/t21-/m0/s1