7-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]-3-methyl-3H-2-benzofuran-1-one

Systemtic Name: 7-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]-3-methyl-3H-2-benzofuran-1-one Openeye Name: 7-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]-3-methyl-3H-isobenzofuran-1-one CAS Name: 7-[(4,6-dimethoxy-1,3,5-triazin-2-yl)thio]-3-methyl-3H-isobenzofuran-1-one IUPAC Name: 7-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]-3-methyl-3H-2-benzofuran-1-one Traditional Name: 7-[(4,6-dimethoxy-s-triazin-2-yl)thio]-3-methyl-phthalide Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C(=CC=C2)SC3=NC(=NC(=N3)OC)OC)C(=O)O1

Isomeric SMILES

CC1C2=C(C(=CC=C2)SC3=NC(=NC(=N3)OC)OC)C(=O)O1

InChI

InChI=1S/C14H13N3O4S/c1-7-8-5-4-6-9(10(8)11(18)21-7)22-14-16-12(19-2)15-13(17-14)20-3/h4-7H,1-3H3