N-(3-cyanophenyl)-2-(4,5-diphenylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyanophenyl)-2-(4,5-diphenylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyanophenyl)-2-(4,5-diphenylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(3-cyanophenyl)-2-[(4,5-diphenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(3-cyanophenyl)-2-(4,5-diphenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(3-cyanophenyl)-2-[(4,5-diphenylpyrimidin-2-yl)thio]acetamide Formula: C25H18N4OS MolecularWeight: 422.50162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=CC=C3)SCC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=CC=C3)SCC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H18N4OS/c26-15-18-8-7-13-21(14-18)28-23(30)17-31-25-27-16-22(19-9-3-1-4-10-19)24(29-25)20-11-5-2-6-12-20/h1-14,16H,17H2,(H,28,30)