N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-2-(4-thieno[3,2-d]pyrimidinylthio)acetamide IUPAC Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-2-(thieno[3,2-d]pyrimidin-4-ylthio)acetamide Formula: C25H21N5OS2 MolecularWeight: 471.59714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNC(=O)CSC4=NC=NC5=C4SC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNC(=O)CSC4=NC=NC5=C4SC=C5

InChI

InChI=1S/C25H21N5OS2/c31-22(16-33-25-24-21(11-12-32-24)27-17-28-25)26-13-20-15-30(14-18-7-3-1-4-8-18)29-23(20)19-9-5-2-6-10-19/h1-12,15,17H,13-14,16H2,(H,26,31)