6-(5-chloranylpyridin-2-yl)sulfanyl-5-nitro-3H-2-benzofuran-1-one

Systemtic Name: 6-(5-chloranylpyridin-2-yl)sulfanyl-5-nitro-3H-2-benzofuran-1-one Openeye Name: 6-[(5-chloro-2-pyridyl)sulfanyl]-5-nitro-3H-isobenzofuran-1-one CAS Name: 6-[(5-chloro-2-pyridinyl)thio]-5-nitro-3H-isobenzofuran-1-one IUPAC Name: 6-(5-chloropyridin-2-yl)sulfanyl-5-nitro-3H-2-benzofuran-1-one Traditional Name: 6-[(5-chloro-2-pyridyl)thio]-5-nitro-phthalide Formula: C13H7ClN2O4S MolecularWeight: 322.72368

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2C(=O)O1)SC3=NC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=C(C=C2C(=O)O1)SC3=NC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H7ClN2O4S/c14-8-1-2-12(15-5-8)21-11-4-9-7(6-20-13(9)17)3-10(11)16(18)19/h1-5H,6H2