[2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate

Systemtic Name: [2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C16H18ClN3OS2 MolecularWeight: 367.91662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)SCC(=O)N(CCC#N)C2=CC(=CC=C2)Cl

Isomeric SMILES

C1CCN(C1)C(=S)SCC(=O)N(CCC#N)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H18ClN3OS2/c17-13-5-3-6-14(11-13)20(10-4-7-18)15(21)12-23-16(22)19-8-1-2-9-19/h3,5-6,11H,1-2,4,8-10,12H2