N-(1,3-benzothiazol-2-yl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(4,6-diphenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(4,6-diphenylpyrimidin-2-yl)thio]acetamide Formula: C25H18N4OS2 MolecularWeight: 454.56662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C25H18N4OS2/c30-23(29-25-26-19-13-7-8-14-22(19)32-25)16-31-24-27-20(17-9-3-1-4-10-17)15-21(28-24)18-11-5-2-6-12-18/h1-15H,16H2,(H,26,29,30)