3-(2-nitrophenyl)sulfanylpentanenitrile

Systemtic Name: 3-(2-nitrophenyl)sulfanylpentanenitrile Openeye Name: 3-(2-nitrophenyl)sulfanylpentanenitrile CAS Name: 3-[(2-nitrophenyl)thio]pentanenitrile IUPAC Name: 3-(2-nitrophenyl)sulfanylpentanenitrile Traditional Name: 3-[(2-nitrophenyl)thio]valeronitrile Formula: C11H12N2O2S MolecularWeight: 236.29018

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)SC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCC(CC#N)SC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C11H12N2O2S/c1-2-9(7-8-12)16-11-6-4-3-5-10(11)13(14)15/h3-6,9H,2,7H2,1H3