1-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(2,5-dimethylphenyl)-2-[(4,6-diphenyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(2,5-dimethylphenyl)-2-[(4,6-diphenylpyrimidin-2-yl)thio]ethanone Formula: C26H22N2OS MolecularWeight: 410.53068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CSC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CSC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H22N2OS/c1-18-13-14-19(2)22(15-18)25(29)17-30-26-27-23(20-9-5-3-6-10-20)16-24(28-26)21-11-7-4-8-12-21/h3-16H,17H2,1-2H3