3,6-bis(chloranyl)-2-(4-methoxy-2-nitro-phenyl)sulfanyl-aniline

Systemtic Name: 3,6-bis(chloranyl)-2-(4-methoxy-2-nitro-phenyl)sulfanyl-aniline Openeye Name: 3,6-dichloro-2-(4-methoxy-2-nitro-phenyl)sulfanyl-aniline CAS Name: 3,6-dichloro-2-[(4-methoxy-2-nitrophenyl)thio]aniline IUPAC Name: 3,6-dichloro-2-(4-methoxy-2-nitrophenyl)sulfanylaniline Traditional Name: [3,6-dichloro-2-[(4-methoxy-2-nitro-phenyl)thio]phenyl]amine Formula: C13H10Cl2N2O3S MolecularWeight: 345.2011

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)SC2=C(C=CC(=C2N)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)SC2=C(C=CC(=C2N)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H10Cl2N2O3S/c1-20-7-2-5-11(10(6-7)17(18)19)21-13-9(15)4-3-8(14)12(13)16/h2-6H,16H2,1H3