2-[(4-methoxyphenyl)methylsulfanyl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(4-methoxyphenyl)methylsulfanyl]-5-nitro-benzonitrile CAS Name: 2-[(4-methoxyphenyl)methylthio]-5-nitrobenzonitrile IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-5-nitrobenzonitrile Traditional Name: 5-nitro-2-(p-anisylthio)benzonitrile Formula: C15H12N2O3S MolecularWeight: 300.33238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H12N2O3S/c1-20-14-5-2-11(3-6-14)10-21-15-7-4-13(17(18)19)8-12(15)9-16/h2-8H,10H2,1H3