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

Systemtic Name: 6-[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione Openeye Name: 6-[2-(2,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione CAS Name: 6-[[2-(2,4-dimethoxyphenyl)-2-oxoethyl]thio]-2H-1,2,4-triazine-3,5-dione IUPAC Name: 6-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione Traditional Name: 6-[[2-(2,4-dimethoxyphenyl)-2-keto-ethyl]thio]-2H-1,2,4-triazine-3,5-quinone Formula: C13H13N3O5S MolecularWeight: 323.32442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)CSC2=NNC(=O)NC2=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)CSC2=NNC(=O)NC2=O)OC

InChI

InChI=1S/C13H13N3O5S/c1-20-7-3-4-8(10(5-7)21-2)9(17)6-22-12-11(18)14-13(19)16-15-12/h3-5H,6H2,1-2H3,(H2,14,16,18,19)