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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=CC=C(C=C2)SC(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=CC=C(C=C2)SC(F)F)[N+](=O)[O-]

InChI

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