2-[bis(fluoranyl)methylsulfanyl]-N-[(4-nitrophenyl)methyl]aniline

Systemtic Name: 2-[bis(fluoranyl)methylsulfanyl]-N-[(4-nitrophenyl)methyl]aniline Openeye Name: 2-(difluoromethylsulfanyl)-N-[(4-nitrophenyl)methyl]aniline CAS Name: 2-(difluoromethylthio)-N-[(4-nitrophenyl)methyl]aniline IUPAC Name: 2-(difluoromethylsulfanyl)-N-[(4-nitrophenyl)methyl]aniline Traditional Name: [2-(difluoromethylthio)phenyl]-(4-nitrobenzyl)amine Formula: C14H12F2N2O2S MolecularWeight: 310.319086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NCC2=CC=C(C=C2)[N+](=O)[O-])SC(F)F

Isomeric SMILES

C1=CC=C(C(=C1)NCC2=CC=C(C=C2)[N+](=O)[O-])SC(F)F

InChI

InChI=1S/C14H12F2N2O2S/c15-14(16)21-13-4-2-1-3-12(13)17-9-10-5-7-11(8-6-10)18(19)20/h1-8,14,17H,9H2