N-[2-nitro-4-(trifluoromethyl)phenyl]thian-4-amine

Systemtic Name: N-[2-nitro-4-(trifluoromethyl)phenyl]thian-4-amine Openeye Name: N-[2-nitro-4-(trifluoromethyl)phenyl]tetrahydrothiopyran-4-amine CAS Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-4-thianamine IUPAC Name: N-[2-nitro-4-(trifluoromethyl)phenyl]thian-4-amine Traditional Name: [2-nitro-4-(trifluoromethyl)phenyl]-tetrahydrothiopyran-4-yl-amine Formula: C12H13F3N2O2S MolecularWeight: 306.30403

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CSCCC1NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H13F3N2O2S/c13-12(14,15)8-1-2-10(11(7-8)17(18)19)16-9-3-5-20-6-4-9/h1-2,7,9,16H,3-6H2