2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-4-keto-1H-pyrimidin-2-yl]thio]-N-phenyl-acetamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=CC=CC=C3)C#N

InChI

InChI=1S/C23H22N4O2S/c1-23(2,3)16-11-9-15(10-12-16)20-18(13-24)21(29)27-22(26-20)30-14-19(28)25-17-7-5-4-6-8-17/h4-12H,14H2,1-3H3,(H,25,28)(H,26,27,29)