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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9ClN2OS2/c1-2-4-11(5-3-10)6-7(9)13-14-8(6)12/h2,4-5H2,1H3