N-[2-(cyanomethylsulfanyl)phenyl]-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[(6-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=CC3=C(S2)N=CN=C3SCC(=O)NC4=CC=CC=C4SCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(S2)N=CN=C3SCC(=O)NC4=CC=CC=C4SCC#N

InChI

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