N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C21H21N5OS2 MolecularWeight: 423.55434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NC=NC3=C2C=CS3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NC=NC3=C2C=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5OS2/c1-21(2,3)16-11-17(26(25-16)14-7-5-4-6-8-14)24-18(27)12-29-20-15-9-10-28-19(15)22-13-23-20/h4-11,13H,12H2,1-3H3,(H,24,27)