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

Systemtic Name: 3-(4-azidophenyl)sulfanyl-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxidanyl-propanamide Openeye Name: 3-(4-azidophenyl)sulfanyl-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-propanamide CAS Name: 3-[(4-azidophenyl)thio]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide IUPAC Name: 3-(4-azidophenyl)sulfanyl-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide Traditional Name: 3-[(4-azidophenyl)thio]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-propionamide Formula: C18H14F3N5O2S MolecularWeight: 421.39627

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=C(C=C1)N=[N+]=[N-])(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O

Isomeric SMILES

CC(CSC1=CC=C(C=C1)N=[N+]=[N-])(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O

InChI

InChI=1S/C18H14F3N5O2S/c1-17(28,10-29-14-6-4-12(5-7-14)25-26-23)16(27)24-13-3-2-11(9-22)15(8-13)18(19,20)21/h2-8,28H,10H2,1H3,(H,24,27)