N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-nitro-aniline

Systemtic Name: N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-nitro-aniline Openeye Name: N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]-3-nitro-aniline CAS Name: N-[[5-[(methylthio)methyl]-2-furanyl]methyl]-3-nitroaniline IUPAC Name: N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-nitroaniline Traditional Name: [5-[(methylthio)methyl]-2-furyl]methyl-(3-nitrophenyl)amine Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3S/c1-19-9-13-6-5-12(18-13)8-14-10-3-2-4-11(7-10)15(16)17/h2-7,14H,8-9H2,1H3