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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC(=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC(=C2)[N+](=O)[O-])C#N

InChI

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