2,3-dimethyl-4-nitro-2-oxidanyl-N-phenyl-3-(trifluoromethyl)pentanethioamide

Systemtic Name: 2,3-dimethyl-4-nitro-2-oxidanyl-N-phenyl-3-(trifluoromethyl)pentanethioamide Openeye Name: 2-hydroxy-2,3-dimethyl-4-nitro-N-phenyl-3-(trifluoromethyl)pentanethioamide CAS Name: 2-hydroxy-2,3-dimethyl-4-nitro-N-phenyl-3-(trifluoromethyl)pentanethioamide IUPAC Name: 2-hydroxy-2,3-dimethyl-4-nitro-N-phenyl-3-(trifluoromethyl)pentanethioamide Traditional Name: 2-hydroxy-2,3-dimethyl-4-nitro-N-phenyl-3-(trifluoromethyl)thiovaleramide Formula: C14H17F3N2O3S MolecularWeight: 350.35659

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17F3N2O3S/c1-9(19(21)22)12(2,14(15,16)17)13(3,20)11(23)18-10-7-5-4-6-8-10/h4-9,20H,1-3H3,(H,18,23)