(1-nitro-2-phenyl-propan-2-yl)sulfanylmethylbenzene

Systemtic Name: (1-nitro-2-phenyl-propan-2-yl)sulfanylmethylbenzene Openeye Name: (1-methyl-2-nitro-1-phenyl-ethyl)sulfanylmethylbenzene CAS Name: [(1-nitro-2-phenylpropan-2-yl)thio]methylbenzene IUPAC Name: (1-nitro-2-phenylpropan-2-yl)sulfanylmethylbenzene Traditional Name: [(1-methyl-2-nitro-1-phenyl-ethyl)thio]methylbenzene Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+](=O)[O-])(C1=CC=CC=C1)SCC2=CC=CC=C2

Isomeric SMILES

CC(C[N+](=O)[O-])(C1=CC=CC=C1)SCC2=CC=CC=C2

InChI

InChI=1S/C16H17NO2S/c1-16(13-17(18)19,15-10-6-3-7-11-15)20-12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3