N-[2-(cyanomethylsulfanyl)phenyl]-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetamide Formula: C22H16N4OS3 MolecularWeight: 448.58364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)NC4=CC=CC=C4SCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)NC4=CC=CC=C4SCC#N

InChI

InChI=1S/C22H16N4OS3/c23-10-11-28-18-9-5-4-8-17(18)26-19(27)13-30-22-20-16(15-6-2-1-3-7-15)12-29-21(20)24-14-25-22/h1-9,12,14H,11,13H2,(H,26,27)