N-[(4-bromanyl-3-nitro-phenyl)methyl]-3-methylsulfanyl-aniline

Systemtic Name: N-[(4-bromanyl-3-nitro-phenyl)methyl]-3-methylsulfanyl-aniline Openeye Name: N-[(4-bromo-3-nitro-phenyl)methyl]-3-methylsulfanyl-aniline CAS Name: N-[(4-bromo-3-nitrophenyl)methyl]-3-(methylthio)aniline IUPAC Name: N-[(4-bromo-3-nitrophenyl)methyl]-3-methylsulfanylaniline Traditional Name: (4-bromo-3-nitro-benzyl)-[3-(methylthio)phenyl]amine Formula: C14H13BrN2O2S MolecularWeight: 353.23422

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

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