N-[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(2-pyrimidylthio)acetamide Formula: C21H19N5OS2 MolecularWeight: 421.53846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=C(S2)NC(=O)CSC3=NC=CC=N3)C#N)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C(=C(S2)NC(=O)CSC3=NC=CC=N3)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C21H19N5OS2/c22-11-17-16-7-10-26(12-15-5-2-1-3-6-15)13-18(16)29-20(17)25-19(27)14-28-21-23-8-4-9-24-21/h1-6,8-9H,7,10,12-14H2,(H,25,27)