3-[(2-nitrophenyl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(2-nitrophenyl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(2-nitrophenyl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(2-nitrophenyl)thio]methyl]benzonitrile IUPAC Name: 3-[(2-nitrophenyl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(2-nitrophenyl)thio]methyl]benzonitrile Formula: C14H10N2O2S MolecularWeight: 270.3064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N2O2S/c15-9-11-4-3-5-12(8-11)10-19-14-7-2-1-6-13(14)16(17)18/h1-8H,10H2