2-[2-(3-chloranyl-5-oxidanylidene-1,2-dithiol-4-yl)propylamino]ethanenitrile

Systemtic Name: 2-[2-(3-chloranyl-5-oxidanylidene-1,2-dithiol-4-yl)propylamino]ethanenitrile Openeye Name: 2-[2-(3-chloro-5-oxo-dithiol-4-yl)propylamino]acetonitrile CAS Name: 2-[2-(3-chloro-5-oxo-4-dithiolyl)propylamino]acetonitrile IUPAC Name: 2-[2-(3-chloro-5-oxodithiol-4-yl)propylamino]acetonitrile Traditional Name: 2-[2-(3-chloro-5-keto-dithiol-4-yl)propylamino]acetonitrile Formula: C8H9ClN2OS2 MolecularWeight: 248.75286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNCC#N)C1=C(SSC1=O)Cl

Isomeric SMILES

CC(CNCC#N)C1=C(SSC1=O)Cl

InChI

InChI=1S/C8H9ClN2OS2/c1-5(4-11-3-2-10)6-7(9)13-14-8(6)12/h5,11H,3-4H2,1H3