2-[(3-methylsulfanylphenyl)amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(3-methylsulfanylphenyl)amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-(3-methylsulfanylanilino)-5-nitro-benzonitrile CAS Name: 2-[3-(methylthio)anilino]-5-nitrobenzonitrile IUPAC Name: 2-(3-methylsulfanylanilino)-5-nitrobenzonitrile Traditional Name: 2-[3-(methylthio)anilino]-5-nitro-benzonitrile Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CSC1=CC=CC(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H11N3O2S/c1-20-13-4-2-3-11(8-13)16-14-6-5-12(17(18)19)7-10(14)9-15/h2-8,16H,1H3