3-[2,5-bis(chloranyl)phenyl]sulfanylpropanenitrile

Systemtic Name: 3-[2,5-bis(chloranyl)phenyl]sulfanylpropanenitrile Openeye Name: 3-(2,5-dichlorophenyl)sulfanylpropanenitrile CAS Name: 3-[(2,5-dichlorophenyl)thio]propanenitrile IUPAC Name: 3-(2,5-dichlorophenyl)sulfanylpropanenitrile Traditional Name: 3-[(2,5-dichlorophenyl)thio]propionitrile Formula: C9H7Cl2NS MolecularWeight: 232.12958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)SCCC#N)Cl

Isomeric SMILES

C1=CC(=C(C=C1Cl)SCCC#N)Cl

InChI

InChI=1S/C9H7Cl2NS/c10-7-2-3-8(11)9(6-7)13-5-1-4-12/h2-3,6H,1,5H2