1-methyl-2-(2-methylphenyl)sulfanyl-3-nitro-benzene

Systemtic Name: 1-methyl-2-(2-methylphenyl)sulfanyl-3-nitro-benzene Openeye Name: 1-methyl-3-nitro-2-(o-tolylsulfanyl)benzene CAS Name: 1-methyl-2-[(2-methylphenyl)thio]-3-nitrobenzene IUPAC Name: 1-methyl-2-(2-methylphenyl)sulfanyl-3-nitrobenzene Traditional Name: 1-methyl-3-nitro-2-(o-tolylthio)benzene Formula: C14H13NO2S MolecularWeight: 259.32352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])SC2=CC=CC=C2C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])SC2=CC=CC=C2C

InChI

InChI=1S/C14H13NO2S/c1-10-6-3-4-9-13(10)18-14-11(2)7-5-8-12(14)15(16)17/h3-9H,1-2H3