4-chloranyl-2-[(4-methylphenyl)sulfonyl-methylsulfanyl-methyl]-1-nitro-benzene

Systemtic Name: 4-chloranyl-2-[(4-methylphenyl)sulfonyl-methylsulfanyl-methyl]-1-nitro-benzene Openeye Name: 4-chloro-2-[methylsulfanyl(p-tolylsulfonyl)methyl]-1-nitro-benzene CAS Name: 4-chloro-2-[(4-methylphenyl)sulfonyl-(methylthio)methyl]-1-nitrobenzene IUPAC Name: 4-chloro-2-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-1-nitrobenzene Traditional Name: 4-chloro-2-[(methylthio)-tosyl-methyl]-1-nitro-benzene Formula: C15H14ClNO4S2 MolecularWeight: 371.85896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClNO4S2/c1-10-3-6-12(7-4-10)23(20,21)15(22-2)13-9-11(16)5-8-14(13)17(18)19/h3-9,15H,1-2H3