5-methyl-4-[2-(4-methyl-2-methylsulfanyl-pyrimidin-5-yl)ethynyl]-3H-2-benzofuran-1-one

Systemtic Name: 5-methyl-4-[2-(4-methyl-2-methylsulfanyl-pyrimidin-5-yl)ethynyl]-3H-2-benzofuran-1-one Openeye Name: 5-methyl-4-[2-(4-methyl-2-methylsulfanyl-pyrimidin-5-yl)ethynyl]-3H-isobenzofuran-1-one CAS Name: 5-methyl-4-[2-[4-methyl-2-(methylthio)-5-pyrimidinyl]ethynyl]-3H-isobenzofuran-1-one IUPAC Name: 5-methyl-4-[2-(4-methyl-2-methylsulfanylpyrimidin-5-yl)ethynyl]-3H-2-benzofuran-1-one Traditional Name: 5-methyl-4-[2-[4-methyl-2-(methylthio)pyrimidin-5-yl]ethynyl]phthalide Formula: C17H14N2O2S MolecularWeight: 310.37026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)OC2)C#CC3=CN=C(N=C3C)SC

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)OC2)C#CC3=CN=C(N=C3C)SC

InChI

InChI=1S/C17H14N2O2S/c1-10-4-6-14-15(9-21-16(14)20)13(10)7-5-12-8-18-17(22-3)19-11(12)2/h4,6,8H,9H2,1-3H3