N-[[5-[bis(fluoranyl)methylsulfanylmethyl]furan-2-yl]methyl]-4-nitro-aniline

Systemtic Name: N-[[5-[bis(fluoranyl)methylsulfanylmethyl]furan-2-yl]methyl]-4-nitro-aniline Openeye Name: N-[[5-(difluoromethylsulfanylmethyl)-2-furyl]methyl]-4-nitro-aniline CAS Name: N-[[5-[(difluoromethylthio)methyl]-2-furanyl]methyl]-4-nitroaniline IUPAC Name: N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-4-nitroaniline Traditional Name: [5-[(difluoromethylthio)methyl]-2-furyl]methyl-(4-nitrophenyl)amine Formula: C13H12F2N2O3S MolecularWeight: 314.307786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCC2=CC=C(O2)CSC(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NCC2=CC=C(O2)CSC(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H12F2N2O3S/c14-13(15)21-8-12-6-5-11(20-12)7-16-9-1-3-10(4-2-9)17(18)19/h1-6,13,16H,7-8H2