3,3,3-tris(fluoranyl)-2-methyl-N-(3-nitro-4-phenylsulfanyl-phenyl)-2-oxidanyl-propanamide

Systemtic Name: 3,3,3-tris(fluoranyl)-2-methyl-N-(3-nitro-4-phenylsulfanyl-phenyl)-2-oxidanyl-propanamide Openeye Name: 3,3,3-trifluoro-2-hydroxy-2-methyl-N-(3-nitro-4-phenylsulfanyl-phenyl)propanamide CAS Name: 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[3-nitro-4-(phenylthio)phenyl]propanamide IUPAC Name: 3,3,3-trifluoro-2-hydroxy-2-methyl-N-(3-nitro-4-phenylsulfanylphenyl)propanamide Traditional Name: 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[3-nitro-4-(phenylthio)phenyl]propionamide Formula: C16H13F3N2O4S MolecularWeight: 386.34563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-])(C(F)(F)F)O

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-])(C(F)(F)F)O

InChI

InChI=1S/C16H13F3N2O4S/c1-15(23,16(17,18)19)14(22)20-10-7-8-13(12(9-10)21(24)25)26-11-5-3-2-4-6-11/h2-9,23H,1H3,(H,20,22)