N-[4-isocyano-3-(trifluoromethyl)phenyl]-2-methyl-3-(4-methylphenyl)sulfanyl-2-oxidanyl-propanamide

Systemtic Name: N-[4-isocyano-3-(trifluoromethyl)phenyl]-2-methyl-3-(4-methylphenyl)sulfanyl-2-oxidanyl-propanamide Openeye Name: 2-hydroxy-N-[4-isocyano-3-(trifluoromethyl)phenyl]-2-methyl-3-(p-tolylsulfanyl)propanamide CAS Name: 2-hydroxy-N-[4-isocyano-3-(trifluoromethyl)phenyl]-2-methyl-3-[(4-methylphenyl)thio]propanamide IUPAC Name: 2-hydroxy-N-[4-isocyano-3-(trifluoromethyl)phenyl]-2-methyl-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: 2-hydroxy-N-[4-isocyano-3-(trifluoromethyl)phenyl]-2-methyl-3-(p-tolylthio)propionamide Formula: C19H17F3N2O2S MolecularWeight: 394.41069

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C)(C(=O)NC2=CC(=C(C=C2)[N+]#[C-])C(F)(F)F)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC(C)(C(=O)NC2=CC(=C(C=C2)[N+]#[C-])C(F)(F)F)O

InChI

InChI=1S/C19H17F3N2O2S/c1-12-4-7-14(8-5-12)27-11-18(2,26)17(25)24-13-6-9-16(23-3)15(10-13)19(20,21)22/h4-10,26H,11H2,1-2H3,(H,24,25)