3-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanoyl]chromen-2-one

Systemtic Name: 3-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanoyl]chromen-2-one Openeye Name: 3-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetyl]chromen-2-one CAS Name: 3-[2-[(4,6-diphenyl-2-pyrimidinyl)thio]-1-oxoethyl]-1-benzopyran-2-one IUPAC Name: 3-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetyl]chromen-2-one Traditional Name: 3-[2-[(4,6-diphenylpyrimidin-2-yl)thio]acetyl]coumarin Formula: C27H18N2O3S MolecularWeight: 450.50842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5

InChI

InChI=1S/C27H18N2O3S/c30-24(21-15-20-13-7-8-14-25(20)32-26(21)31)17-33-27-28-22(18-9-3-1-4-10-18)16-23(29-27)19-11-5-2-6-12-19/h1-16H,17H2