4-[[(1R)-1-(3-nitrophenyl)ethyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[(1R)-1-(3-nitrophenyl)ethyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[(1R)-1-(3-nitrophenyl)ethyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[(1R)-1-(3-nitrophenyl)ethyl]thio]methyl]benzonitrile IUPAC Name: 4-[[(1R)-1-(3-nitrophenyl)ethyl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[(1R)-1-(3-nitrophenyl)ethyl]thio]methyl]benzonitrile Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O2S/c1-12(15-3-2-4-16(9-15)18(19)20)21-11-14-7-5-13(10-17)6-8-14/h2-9,12H,11H2,1H3/t12-/m1/s1