methyl 2-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylsulfanyl]benzoate

Systemtic Name: methyl 2-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylsulfanyl]benzoate Openeye Name: methyl 2-[[3-nitro-4-(p-tolylsulfanyl)phenyl]methylsulfanyl]benzoate CAS Name: 2-[[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylthio]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylsulfanyl]benzoate Traditional Name: 2-[[3-nitro-4-(p-tolylthio)benzyl]thio]benzoic acid methyl ester Formula: C22H19NO4S2 MolecularWeight: 425.52056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)CSC3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)CSC3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H19NO4S2/c1-15-7-10-17(11-8-15)29-21-12-9-16(13-19(21)23(25)26)14-28-20-6-4-3-5-18(20)22(24)27-2/h3-13H,14H2,1-2H3