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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17F3N2O3S/c1-4-8(2)13(3,20)12(23)18-9-5-6-11(19(21)22)10(7-9)14(15,16)17/h5-8,20H,4H2,1-3H3,(H,18,23)