3-[2-(4-nitrophenyl)sulfanylethoxy]benzenecarbonitrile

Systemtic Name: 3-[2-(4-nitrophenyl)sulfanylethoxy]benzenecarbonitrile Openeye Name: 3-[2-(4-nitrophenyl)sulfanylethoxy]benzonitrile CAS Name: 3-[2-[(4-nitrophenyl)thio]ethoxy]benzonitrile IUPAC Name: 3-[2-(4-nitrophenyl)sulfanylethoxy]benzonitrile Traditional Name: 3-[2-[(4-nitrophenyl)thio]ethoxy]benzonitrile Formula: C15H12N2O3S MolecularWeight: 300.33238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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