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

Systemtic Name: N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(4S)-6-fluorothiochroman-4-yl]-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: N-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(4S)-6-fluorothiochroman-4-yl]-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C25H21FN4OS MolecularWeight: 444.523843

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C([C@H]1NC(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5)C=C(C=C2)F

InChI

InChI=1S/C25H21FN4OS/c26-19-8-9-23-20(13-19)22(10-12-32-23)28-25(31)21-16-30(15-17-5-2-1-3-6-17)29-24(21)18-7-4-11-27-14-18/h1-9,11,13-14,16,22H,10,12,15H2,(H,28,31)/t22-/m0/s1