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

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: 1-phenyl-3-(3-pyridyl)-N-[(4S)-thiochroman-4-yl]pyrazole-4-carboxamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-1-phenyl-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: 1-phenyl-3-(3-pyridyl)-N-[(4S)-thiochroman-4-yl]pyrazole-4-carboxamide Formula: C24H20N4OS MolecularWeight: 412.5068

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C24H20N4OS/c29-24(26-21-12-14-30-22-11-5-4-10-19(21)22)20-16-28(18-8-2-1-3-9-18)27-23(20)17-7-6-13-25-15-17/h1-11,13,15-16,21H,12,14H2,(H,26,29)/t21-/m0/s1