1-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone CAS Name: 1-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Traditional Name: 1-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Formula: C26H32N2O2S MolecularWeight: 436.60948

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NC(=S)NC1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=C(NC(=S)NC1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C26H32N2O2S/c1-15(29)20-21(16-11-9-8-10-12-16)27-24(31)28-22(20)17-13-18(25(2,3)4)23(30)19(14-17)26(5,6)7/h8-14,22,30H,1-7H3,(H2,27,28,31)