2-(4-tert-butylphenyl)sulfanyl-N-pyrimidin-2-yl-ethanamide

Systemtic Name: 2-(4-tert-butylphenyl)sulfanyl-N-pyrimidin-2-yl-ethanamide Openeye Name: 2-(4-tert-butylphenyl)sulfanyl-N-pyrimidin-2-yl-acetamide CAS Name: 2-[(4-tert-butylphenyl)thio]-N-(2-pyrimidinyl)acetamide IUPAC Name: 2-(4-tert-butylphenyl)sulfanyl-N-pyrimidin-2-ylacetamide Traditional Name: 2-[(4-tert-butylphenyl)thio]-N-(2-pyrimidyl)acetamide Formula: C16H19N3OS MolecularWeight: 301.40656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC(=O)NC2=NC=CC=N2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC(=O)NC2=NC=CC=N2

InChI

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