N-[(4-chlorophenyl)methyl]-4-oxidanylidene-6-(phenylmethylsulfanyl)-7-(trifluoromethyl)-1H-quinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-oxidanylidene-6-(phenylmethylsulfanyl)-7-(trifluoromethyl)-1H-quinoline-3-carboxamide Openeye Name: 6-benzylsulfanyl-N-[(4-chlorophenyl)methyl]-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-4-oxo-6-(phenylmethylthio)-7-(trifluoromethyl)-1H-quinoline-3-carboxamide IUPAC Name: 6-benzylsulfanyl-N-[(4-chlorophenyl)methyl]-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide Traditional Name: 6-(benzylthio)-N-(4-chlorobenzyl)-4-keto-7-(trifluoromethyl)-1H-quinoline-3-carboxamide Formula: C25H18ClF3N2O2S MolecularWeight: 502.93583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=C3C(=C2)C(=O)C(=CN3)C(=O)NCC4=CC=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C3C(=C2)C(=O)C(=CN3)C(=O)NCC4=CC=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C25H18ClF3N2O2S/c26-17-8-6-15(7-9-17)12-31-24(33)19-13-30-21-11-20(25(27,28)29)22(10-18(21)23(19)32)34-14-16-4-2-1-3-5-16/h1-11,13H,12,14H2,(H,30,32)(H,31,33)