4-fluoranyl-N-[(4-methylsulfanylphenyl)methyl]-3-nitro-aniline

Systemtic Name: 4-fluoranyl-N-[(4-methylsulfanylphenyl)methyl]-3-nitro-aniline Openeye Name: 4-fluoro-N-[(4-methylsulfanylphenyl)methyl]-3-nitro-aniline CAS Name: 4-fluoro-N-[[4-(methylthio)phenyl]methyl]-3-nitroaniline IUPAC Name: 4-fluoro-N-[(4-methylsulfanylphenyl)methyl]-3-nitroaniline Traditional Name: (4-fluoro-3-nitro-phenyl)-[4-(methylthio)benzyl]amine Formula: C14H13FN2O2S MolecularWeight: 292.328623

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)CNC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C14H13FN2O2S/c1-20-12-5-2-10(3-6-12)9-16-11-4-7-13(15)14(8-11)17(18)19/h2-8,16H,9H2,1H3