2-[2-(4-nitrophenyl)sulfanylethoxy]benzenecarbonitrile

Systemtic Name: 2-[2-(4-nitrophenyl)sulfanylethoxy]benzenecarbonitrile Openeye Name: 2-[2-(4-nitrophenyl)sulfanylethoxy]benzonitrile CAS Name: 2-[2-[(4-nitrophenyl)thio]ethoxy]benzonitrile IUPAC Name: 2-[2-(4-nitrophenyl)sulfanylethoxy]benzonitrile Traditional Name: 2-[2-[(4-nitrophenyl)thio]ethoxy]benzonitrile Formula: C15H12N2O3S MolecularWeight: 300.33238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)OCCSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C#N)OCCSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O3S/c16-11-12-3-1-2-4-15(12)20-9-10-21-14-7-5-13(6-8-14)17(18)19/h1-8H,9-10H2