2-bromanyl-N-[(4-methylsulfanylphenyl)methyl]-4-nitro-aniline

Systemtic Name: 2-bromanyl-N-[(4-methylsulfanylphenyl)methyl]-4-nitro-aniline Openeye Name: 2-bromo-N-[(4-methylsulfanylphenyl)methyl]-4-nitro-aniline CAS Name: 2-bromo-N-[[4-(methylthio)phenyl]methyl]-4-nitroaniline IUPAC Name: 2-bromo-N-[(4-methylsulfanylphenyl)methyl]-4-nitroaniline Traditional Name: (2-bromo-4-nitro-phenyl)-[4-(methylthio)benzyl]amine Formula: C14H13BrN2O2S MolecularWeight: 353.23422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN2O2S/c1-20-12-5-2-10(3-6-12)9-16-14-7-4-11(17(18)19)8-13(14)15/h2-8,16H,9H2,1H3