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

Systemtic Name: 2-chloranyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-5-nitro-aniline Openeye Name: 2-chloro-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]-5-nitro-aniline CAS Name: 2-chloro-N-[[5-[(methylthio)methyl]-2-furanyl]methyl]-5-nitroaniline IUPAC Name: 2-chloro-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-5-nitroaniline Traditional Name: (2-chloro-5-nitro-phenyl)-[[5-[(methylthio)methyl]-2-furyl]methyl]amine Formula: C13H13ClN2O3S MolecularWeight: 312.77192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN2O3S/c1-20-8-11-4-3-10(19-11)7-15-13-6-9(16(17)18)2-5-12(13)14/h2-6,15H,7-8H2,1H3