6-[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione

Systemtic Name: 6-[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione Openeye Name: 6-[2-(benzofuran-2-yl)-2-oxo-ethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione CAS Name: 6-[[2-(2-benzofuranyl)-2-oxoethyl]thio]-2H-1,2,4-triazine-3,5-dione IUPAC Name: 6-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione Traditional Name: 6-[[2-(benzofuran-2-yl)-2-keto-ethyl]thio]-2H-1,2,4-triazine-3,5-quinone Formula: C13H9N3O4S MolecularWeight: 303.29326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)CSC3=NNC(=O)NC3=O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)CSC3=NNC(=O)NC3=O

InChI

InChI=1S/C13H9N3O4S/c17-8(6-21-12-11(18)14-13(19)16-15-12)10-5-7-3-1-2-4-9(7)20-10/h1-5H,6H2,(H2,14,16,18,19)