6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,4-dimethyl-1,2,4-triazine-3,5-dione

Systemtic Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,4-dimethyl-1,2,4-triazine-3,5-dione Openeye Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,4-dimethyl-1,2,4-triazine-3,5-dione CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-2,4-dimethyl-1,2,4-triazine-3,5-dione IUPAC Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,4-dimethyl-1,2,4-triazine-3,5-dione Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-2,4-dimethyl-1,2,4-triazine-3,5-quinone Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=NN(C1=O)C)SC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CN1C(=O)C(=NN(C1=O)C)SC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C13H13N3O4S/c1-15-12(17)11(14-16(2)13(15)18)21-8-3-4-9-10(7-8)20-6-5-19-9/h3-4,7H,5-6H2,1-2H3