2-(4-nitrophenyl)sulfanylethanenitrile

Systemtic Name: 2-(4-nitrophenyl)sulfanylethanenitrile Openeye Name: 2-(4-nitrophenyl)sulfanylacetonitrile CAS Name: 2-[(4-nitrophenyl)thio]acetonitrile IUPAC Name: 2-(4-nitrophenyl)sulfanylacetonitrile Traditional Name: 2-[(4-nitrophenyl)thio]acetonitrile Formula: C8H6N2O2S MolecularWeight: 194.21044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SCC#N

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SCC#N

InChI

InChI=1S/C8H6N2O2S/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,6H2