5-chloranyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[2-[(2-cyanophenyl)methylthio]ethyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[2-[(2-cyanobenzyl)thio]ethyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C16H15ClN4OS2 MolecularWeight: 378.8995

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCCSCC2=CC=CC=C2C#N)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCCSCC2=CC=CC=C2C#N)Cl

InChI

InChI=1S/C16H15ClN4OS2/c1-23-16-20-9-13(17)14(21-16)15(22)19-6-7-24-10-12-5-3-2-4-11(12)8-18/h2-5,9H,6-7,10H2,1H3,(H,19,22)