5-(2-azanylethylsulfanyl)-2-chloranyl-4-nitro-phenol

Systemtic Name: 5-(2-azanylethylsulfanyl)-2-chloranyl-4-nitro-phenol Openeye Name: 5-(2-aminoethylsulfanyl)-2-chloro-4-nitro-phenol CAS Name: 5-(2-aminoethylthio)-2-chloro-4-nitrophenol IUPAC Name: 5-(2-aminoethylsulfanyl)-2-chloro-4-nitrophenol Traditional Name: 5-(2-aminoethylthio)-2-chloro-4-nitro-phenol Formula: C8H9ClN2O3S MolecularWeight: 248.68666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1Cl)O)SCCN)[N+](=O)[O-]

Isomeric SMILES

C1=C(C(=CC(=C1Cl)O)SCCN)[N+](=O)[O-]

InChI

InChI=1S/C8H9ClN2O3S/c9-5-3-6(11(13)14)8(4-7(5)12)15-2-1-10/h3-4,12H,1-2,10H2