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

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide Openeye Name: 4-methoxy-N-[(4S)-thiochroman-4-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide Traditional Name: 4-methoxy-N-[(4S)-thiochroman-4-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide Formula: C21H18F3N3O2S MolecularWeight: 433.44673

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)NC2CCSC3=CC=CC=C23)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

COC1=CN(N=C1C(=O)N[C@H]2CCSC3=CC=CC=C23)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H18F3N3O2S/c1-29-17-12-27(14-6-4-5-13(11-14)21(22,23)24)26-19(17)20(28)25-16-9-10-30-18-8-3-2-7-15(16)18/h2-8,11-12,16H,9-10H2,1H3,(H,25,28)/t16-/m0/s1