N-[2-(cyanomethylsulfanyl)phenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-(4-thieno[3,2-d]pyrimidinylthio)acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-(thieno[3,2-d]pyrimidin-4-ylthio)acetamide Formula: C16H12N4OS3 MolecularWeight: 372.48768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CSC2=NC=NC3=C2SC=C3)SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CSC2=NC=NC3=C2SC=C3)SCC#N

InChI

InChI=1S/C16H12N4OS3/c17-6-8-22-13-4-2-1-3-11(13)20-14(21)9-24-16-15-12(5-7-23-15)18-10-19-16/h1-5,7,10H,8-9H2,(H,20,21)