4-[[2,5-bis(chloranyl)phenoxy]methyl]-1-(4-methylphenyl)sulfanyl-2-nitro-benzene

Systemtic Name: 4-[[2,5-bis(chloranyl)phenoxy]methyl]-1-(4-methylphenyl)sulfanyl-2-nitro-benzene Openeye Name: 4-[(2,5-dichlorophenoxy)methyl]-2-nitro-1-(p-tolylsulfanyl)benzene CAS Name: 4-[(2,5-dichlorophenoxy)methyl]-1-[(4-methylphenyl)thio]-2-nitrobenzene IUPAC Name: 4-[(2,5-dichlorophenoxy)methyl]-1-(4-methylphenyl)sulfanyl-2-nitrobenzene Traditional Name: 4-[(2,5-dichlorophenoxy)methyl]-2-nitro-1-(p-tolylthio)benzene Formula: C20H15Cl2NO3S MolecularWeight: 420.309

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)COC3=C(C=CC(=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)COC3=C(C=CC(=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H15Cl2NO3S/c1-13-2-6-16(7-3-13)27-20-9-4-14(10-18(20)23(24)25)12-26-19-11-15(21)5-8-17(19)22/h2-11H,12H2,1H3