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

Systemtic Name: 5-cyclopropyl-N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-2-phenyl-pyrazole-3-carboxamide Openeye Name: 5-cyclopropyl-N-[(4S)-6-fluorothiochroman-4-yl]-2-phenyl-pyrazole-3-carboxamide CAS Name: 5-cyclopropyl-N-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-2-phenyl-3-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-phenylpyrazole-3-carboxamide Traditional Name: 5-cyclopropyl-N-[(4S)-6-fluorothiochroman-4-yl]-2-phenyl-pyrazole-3-carboxamide Formula: C22H20FN3OS MolecularWeight: 393.477103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)NC3CCSC4=C3C=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

C1CSC2=C([C@H]1NC(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5)C=C(C=C2)F

InChI

InChI=1S/C22H20FN3OS/c23-15-8-9-21-17(12-15)18(10-11-28-21)24-22(27)20-13-19(14-6-7-14)25-26(20)16-4-2-1-3-5-16/h1-5,8-9,12-14,18H,6-7,10-11H2,(H,24,27)/t18-/m0/s1