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

Systemtic Name: 1-nitro-2-[(phenylmethylsulfanyl)methyl]benzene Openeye Name: 1-(benzylsulfanylmethyl)-2-nitro-benzene CAS Name: 1-nitro-2-[(phenylmethylthio)methyl]benzene IUPAC Name: 1-(benzylsulfanylmethyl)-2-nitrobenzene Traditional Name: 1-[(benzylthio)methyl]-2-nitro-benzene Formula: C14H13NO2S MolecularWeight: 259.32352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO2S/c16-15(17)14-9-5-4-8-13(14)11-18-10-12-6-2-1-3-7-12/h1-9H,10-11H2