N-[2,4-bis(fluoranyl)-5-nitro-phenyl]thian-4-amine

Systemtic Name: N-[2,4-bis(fluoranyl)-5-nitro-phenyl]thian-4-amine Openeye Name: N-(2,4-difluoro-5-nitro-phenyl)tetrahydrothiopyran-4-amine CAS Name: N-(2,4-difluoro-5-nitrophenyl)-4-thianamine IUPAC Name: N-(2,4-difluoro-5-nitrophenyl)thian-4-amine Traditional Name: (2,4-difluoro-5-nitro-phenyl)-tetrahydrothiopyran-4-yl-amine Formula: C11H12F2N2O2S MolecularWeight: 274.286986

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1NC2=CC(=C(C=C2F)F)[N+](=O)[O-]

Isomeric SMILES

C1CSCCC1NC2=CC(=C(C=C2F)F)[N+](=O)[O-]

InChI

InChI=1S/C11H12F2N2O2S/c12-8-5-9(13)11(15(16)17)6-10(8)14-7-1-3-18-4-2-7/h5-7,14H,1-4H2