N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-isothiocyanatophenyl)sulfanyl-2-methyl-2-oxidanyl-propanamide

Systemtic Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-isothiocyanatophenyl)sulfanyl-2-methyl-2-oxidanyl-propanamide Openeye Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-3-(4-isothiocyanatophenyl)sulfanyl-2-methyl-propanamide CAS Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-3-[(4-isothiocyanatophenyl)thio]-2-methylpropanamide IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-3-(4-isothiocyanatophenyl)sulfanyl-2-methylpropanamide Traditional Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-3-[(4-isothiocyanatophenyl)thio]-2-methyl-propionamide Formula: C19H14F3N3O2S2 MolecularWeight: 437.45857

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=C(C=C1)N=C=S)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O

Isomeric SMILES

CC(CSC1=CC=C(C=C1)N=C=S)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O

InChI

InChI=1S/C19H14F3N3O2S2/c1-18(27,10-29-15-6-4-13(5-7-15)24-11-28)17(26)25-14-3-2-12(9-23)16(8-14)19(20,21)22/h2-8,27H,10H2,1H3,(H,25,26)