3-[2-(4-phenylquinazolin-2-yl)sulfanylethanoyl]chromen-2-one

Systemtic Name: 3-[2-(4-phenylquinazolin-2-yl)sulfanylethanoyl]chromen-2-one Openeye Name: 3-[2-(4-phenylquinazolin-2-yl)sulfanylacetyl]chromen-2-one CAS Name: 3-[1-oxo-2-[(4-phenyl-2-quinazolinyl)thio]ethyl]-1-benzopyran-2-one IUPAC Name: 3-[2-(4-phenylquinazolin-2-yl)sulfanylacetyl]chromen-2-one Traditional Name: 3-[2-[(4-phenylquinazolin-2-yl)thio]acetyl]coumarin Formula: C25H16N2O3S MolecularWeight: 424.47114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)SCC(=O)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)SCC(=O)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C25H16N2O3S/c28-21(19-14-17-10-4-7-13-22(17)30-24(19)29)15-31-25-26-20-12-6-5-11-18(20)23(27-25)16-8-2-1-3-9-16/h1-14H,15H2