1-methyl-4-nitro-2-[(phenylmethylsulfanyl)methyl]benzene

Systemtic Name: 1-methyl-4-nitro-2-[(phenylmethylsulfanyl)methyl]benzene Openeye Name: 2-(benzylsulfanylmethyl)-1-methyl-4-nitro-benzene CAS Name: 1-methyl-4-nitro-2-[(phenylmethylthio)methyl]benzene IUPAC Name: 2-(benzylsulfanylmethyl)-1-methyl-4-nitrobenzene Traditional Name: 2-[(benzylthio)methyl]-1-methyl-4-nitro-benzene Formula: C15H15NO2S MolecularWeight: 273.3501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])CSCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CSCC2=CC=CC=C2

InChI

InChI=1S/C15H15NO2S/c1-12-7-8-15(16(17)18)9-14(12)11-19-10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3