2-[(4-methylsulfanylphenyl)methylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(4-methylsulfanylphenyl)methylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(4-methylsulfanylphenyl)methylamino]-5-nitro-benzonitrile CAS Name: 2-[[4-(methylthio)phenyl]methylamino]-5-nitrobenzonitrile IUPAC Name: 2-[(4-methylsulfanylphenyl)methylamino]-5-nitrobenzonitrile Traditional Name: 2-[[4-(methylthio)benzyl]amino]-5-nitro-benzonitrile Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CSC1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H13N3O2S/c1-21-14-5-2-11(3-6-14)10-17-15-7-4-13(18(19)20)8-12(15)9-16/h2-8,17H,10H2,1H3