(2-azanyl-1-cyano-2-oxidanylidene-ethyl) N-azanyl-N-[2-(2-methylphenoxy)ethyl]carbamodithioate

Systemtic Name: (2-azanyl-1-cyano-2-oxidanylidene-ethyl) N-azanyl-N-[2-(2-methylphenoxy)ethyl]carbamodithioate Openeye Name: (2-amino-1-cyano-2-oxo-ethyl) N-amino-N-[2-(2-methylphenoxy)ethyl]carbamodithioate CAS Name: N-amino-N-[2-(2-methylphenoxy)ethyl]carbamodithioic acid (2-amino-1-cyano-2-oxoethyl) ester IUPAC Name: (2-amino-1-cyano-2-oxoethyl) N-amino-N-[2-(2-methylphenoxy)ethyl]carbamodithioate Traditional Name: N-amino-N-[2-(2-methylphenoxy)ethyl]carbamodithioic acid (2-amino-1-cyano-2-keto-ethyl) ester Formula: C13H16N4O2S2 MolecularWeight: 324.42174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCN(C(=S)SC(C#N)C(=O)N)N

Isomeric SMILES

CC1=CC=CC=C1OCCN(C(=S)SC(C#N)C(=O)N)N

InChI

InChI=1S/C13H16N4O2S2/c1-9-4-2-3-5-10(9)19-7-6-17(16)13(20)21-11(8-14)12(15)18/h2-5,11H,6-7,16H2,1H3,(H2,15,18)