2-[(2-methylphenyl)methylsulfanyl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(2-methylphenyl)methylsulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 5-nitro-2-(o-tolylmethylsulfanyl)benzonitrile CAS Name: 2-[(2-methylphenyl)methylthio]-5-nitrobenzonitrile IUPAC Name: 2-[(2-methylphenyl)methylsulfanyl]-5-nitrobenzonitrile Traditional Name: 2-[(2-methylbenzyl)thio]-5-nitro-benzonitrile Formula: C15H12N2O2S MolecularWeight: 284.33298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=CC=C1CSC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H12N2O2S/c1-11-4-2-3-5-12(11)10-20-15-7-6-14(17(18)19)8-13(15)9-16/h2-8H,10H2,1H3