N-(4-tert-butylphenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(4-tert-butylphenyl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(4-tert-butylphenyl)-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(4-tert-butylphenyl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(4-tert-butylphenyl)-2-(2-pyrimidylthio)acetamide Formula: C16H19N3OS MolecularWeight: 301.40656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NC=CC=N2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C16H19N3OS/c1-16(2,3)12-5-7-13(8-6-12)19-14(20)11-21-15-17-9-4-10-18-15/h4-10H,11H2,1-3H3,(H,19,20)