6-[(2R)-2-(phenylsulfanylmethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one

Systemtic Name: 6-[(2R)-2-(phenylsulfanylmethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one Openeye Name: 6-[(2R)-2-(phenylsulfanylmethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one CAS Name: 6-[(2R)-2-[(phenylthio)methyl]-1-pyrrolidinyl]-4-(trifluoromethyl)-1H-quinolin-2-one IUPAC Name: 6-[(2R)-2-(phenylsulfanylmethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one Traditional Name: 6-[(2R)-2-[(phenylthio)methyl]pyrrolidino]-4-(trifluoromethyl)carbostyril Formula: C21H19F3N2OS MolecularWeight: 404.44857

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F)CSC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](N(C1)C2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F)CSC4=CC=CC=C4

InChI

InChI=1S/C21H19F3N2OS/c22-21(23,24)18-12-20(27)25-19-9-8-14(11-17(18)19)26-10-4-5-15(26)13-28-16-6-2-1-3-7-16/h1-3,6-9,11-12,15H,4-5,10,13H2,(H,25,27)/t15-/m1/s1