1-methyl-4-[1-(4-methylphenyl)sulfanyl-2-nitro-ethyl]benzene

Systemtic Name: 1-methyl-4-[1-(4-methylphenyl)sulfanyl-2-nitro-ethyl]benzene Openeye Name: 1-methyl-4-[2-nitro-1-(p-tolylsulfanyl)ethyl]benzene CAS Name: 1-methyl-4-[1-[(4-methylphenyl)thio]-2-nitroethyl]benzene IUPAC Name: 1-methyl-4-[1-(4-methylphenyl)sulfanyl-2-nitroethyl]benzene Traditional Name: 1-methyl-4-[2-nitro-1-(p-tolylthio)ethyl]benzene Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO2S/c1-12-3-7-14(8-4-12)16(11-17(18)19)20-15-9-5-13(2)6-10-15/h3-10,16H,11H2,1-2H3