2-(4-methylphenyl)sulfanyl-6-nitro-benzenecarbonitrile

Systemtic Name: 2-(4-methylphenyl)sulfanyl-6-nitro-benzenecarbonitrile Openeye Name: 2-nitro-6-(p-tolylsulfanyl)benzonitrile CAS Name: 2-[(4-methylphenyl)thio]-6-nitrobenzonitrile IUPAC Name: 2-(4-methylphenyl)sulfanyl-6-nitrobenzonitrile Traditional Name: 2-nitro-6-(p-tolylthio)benzonitrile Formula: C14H10N2O2S MolecularWeight: 270.3064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=CC(=C2C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=CC(=C2C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O2S/c1-10-5-7-11(8-6-10)19-14-4-2-3-13(16(17)18)12(14)9-15/h2-8H,1H3