N-[[2,4-bis(fluoranyl)-5-nitro-phenyl]methyl]-3-methylsulfanyl-aniline

Systemtic Name: N-[[2,4-bis(fluoranyl)-5-nitro-phenyl]methyl]-3-methylsulfanyl-aniline Openeye Name: N-[(2,4-difluoro-5-nitro-phenyl)methyl]-3-methylsulfanyl-aniline CAS Name: N-[(2,4-difluoro-5-nitrophenyl)methyl]-3-(methylthio)aniline IUPAC Name: N-[(2,4-difluoro-5-nitrophenyl)methyl]-3-methylsulfanylaniline Traditional Name: (2,4-difluoro-5-nitro-benzyl)-[3-(methylthio)phenyl]amine Formula: C14H12F2N2O2S MolecularWeight: 310.319086

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NCC2=CC(=C(C=C2F)F)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NCC2=CC(=C(C=C2F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H12F2N2O2S/c1-21-11-4-2-3-10(6-11)17-8-9-5-14(18(19)20)13(16)7-12(9)15/h2-7,17H,8H2,1H3