2-[2,4-bis(chloranyl)-5-methyl-phenyl]sulfanyl-5-methyl-1,3-dinitro-benzene

Systemtic Name: 2-[2,4-bis(chloranyl)-5-methyl-phenyl]sulfanyl-5-methyl-1,3-dinitro-benzene Openeye Name: 2-(2,4-dichloro-5-methyl-phenyl)sulfanyl-5-methyl-1,3-dinitro-benzene CAS Name: 2-[(2,4-dichloro-5-methylphenyl)thio]-5-methyl-1,3-dinitrobenzene IUPAC Name: 2-(2,4-dichloro-5-methylphenyl)sulfanyl-5-methyl-1,3-dinitrobenzene Traditional Name: 2-[(2,4-dichloro-5-methyl-phenyl)thio]-5-methyl-1,3-dinitro-benzene Formula: C14H10Cl2N2O4S MolecularWeight: 373.2112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10Cl2N2O4S/c1-7-3-11(17(19)20)14(12(4-7)18(21)22)23-13-5-8(2)9(15)6-10(13)16/h3-6H,1-2H3