4-bromanyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-nitro-aniline

Systemtic Name: 4-bromanyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-nitro-aniline Openeye Name: 4-bromo-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]-2-nitro-aniline CAS Name: 4-bromo-N-[[5-[(methylthio)methyl]-2-furanyl]methyl]-2-nitroaniline IUPAC Name: 4-bromo-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-nitroaniline Traditional Name: (4-bromo-2-nitro-phenyl)-[[5-[(methylthio)methyl]-2-furyl]methyl]amine Formula: C13H13BrN2O3S MolecularWeight: 357.22292

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(O1)CNC2=C(C=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CSCC1=CC=C(O1)CNC2=C(C=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H13BrN2O3S/c1-20-8-11-4-3-10(19-11)7-15-12-5-2-9(14)6-13(12)16(17)18/h2-6,15H,7-8H2,1H3