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

Systemtic Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide CAS Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-benzyl-2-[[6-(4-tert-butylphenyl)-5-cyano-4-keto-1H-pyrimidin-2-yl]thio]acetamide Formula: C24H24N4O2S MolecularWeight: 432.53796

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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)NCC3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NCC3=CC=CC=C3)C#N

InChI

InChI=1S/C24H24N4O2S/c1-24(2,3)18-11-9-17(10-12-18)21-19(13-25)22(30)28-23(27-21)31-15-20(29)26-14-16-7-5-4-6-8-16/h4-12H,14-15H2,1-3H3,(H,26,29)(H,27,28,30)