N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-(4-oxo-3-thieno[2,3-d]pyrimidinyl)acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-(4-ketothieno[2,3-d]pyrimidin-3-yl)acetamide Formula: C16H12N4O2S2 MolecularWeight: 356.42208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CN2C=NC3=C(C2=O)C=CS3)SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CN2C=NC3=C(C2=O)C=CS3)SCC#N

InChI

InChI=1S/C16H12N4O2S2/c17-6-8-23-13-4-2-1-3-12(13)19-14(21)9-20-10-18-15-11(16(20)22)5-7-24-15/h1-5,7,10H,8-9H2,(H,19,21)