N-(4-tert-butylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-tert-butylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(4-tert-butylphenyl)-2-[(4,6-diphenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(4-tert-butylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(4-tert-butylphenyl)-2-[(4,6-diphenylpyrimidin-2-yl)thio]acetamide Formula: C28H27N3OS MolecularWeight: 453.59848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H27N3OS/c1-28(2,3)22-14-16-23(17-15-22)29-26(32)19-33-27-30-24(20-10-6-4-7-11-20)18-25(31-27)21-12-8-5-9-13-21/h4-18H,19H2,1-3H3,(H,29,32)