2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-oxidanyl-3-phenyl-butanethioamide

Systemtic Name: 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-oxidanyl-3-phenyl-butanethioamide Openeye Name: 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-phenyl-butanethioamide CAS Name: 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-phenylbutanethioamide IUPAC Name: 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-phenylbutanethioamide Traditional Name: 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-phenyl-thiobutyramide Formula: C18H17F3N2O3S MolecularWeight: 398.39939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17F3N2O3S/c1-11(12-6-4-3-5-7-12)17(2,24)16(27)22-13-8-9-15(23(25)26)14(10-13)18(19,20)21/h3-11,24H,1-2H3,(H,22,27)