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

Systemtic Name: N-(4-tert-butylphenyl)-2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-tert-butylphenyl)-2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(4-tert-butylphenyl)-2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(4-tert-butylphenyl)-2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(4-tert-butylphenyl)-2-[[6-(4-tert-butylphenyl)-5-cyano-4-keto-1H-pyrimidin-2-yl]thio]acetamide Formula: C27H30N4O2S MolecularWeight: 474.6177

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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=C(C=C3)C(C)(C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O2S/c1-26(2,3)18-9-7-17(8-10-18)23-21(15-28)24(33)31-25(30-23)34-16-22(32)29-20-13-11-19(12-14-20)27(4,5)6/h7-14H,16H2,1-6H3,(H,29,32)(H,30,31,33)