4-methoxy-N-methyl-5-methylsulfanyl-2-nitro-aniline

Systemtic Name: 4-methoxy-N-methyl-5-methylsulfanyl-2-nitro-aniline Openeye Name: 4-methoxy-N-methyl-5-methylsulfanyl-2-nitro-aniline CAS Name: 4-methoxy-N-methyl-5-(methylthio)-2-nitroaniline IUPAC Name: 4-methoxy-N-methyl-5-methylsulfanyl-2-nitroaniline Traditional Name: [4-methoxy-5-(methylthio)-2-nitro-phenyl]-methyl-amine Formula: C9H12N2O3S MolecularWeight: 228.26818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC(=C(C=C1[N+](=O)[O-])OC)SC

Isomeric SMILES

CNC1=CC(=C(C=C1[N+](=O)[O-])OC)SC

InChI

InChI=1S/C9H12N2O3S/c1-10-6-4-9(15-3)8(14-2)5-7(6)11(12)13/h4-5,10H,1-3H3