N-(4-ethanoylphenyl)-2-[4-(4-ethylphenyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-[4-(4-ethylphenyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-acetylphenyl)-2-[4-(4-ethylphenyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(4-acetylphenyl)-2-[[4-(4-ethylphenyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[4-(4-ethylphenyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(4-acetylphenyl)-2-[[4-(4-ethylphenyl)pyrimidin-2-yl]thio]acetamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NC=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NC=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H21N3O2S/c1-3-16-4-6-18(7-5-16)20-12-13-23-22(25-20)28-14-21(27)24-19-10-8-17(9-11-19)15(2)26/h4-13H,3,14H2,1-2H3,(H,24,27)