6-[(E)-2-oxidanyl-4-oxidanylidene-pent-2-en-3-yl]sulfanyl-2H-1,2,4-triazine-3,5-dione

Systemtic Name: 6-[(E)-2-oxidanyl-4-oxidanylidene-pent-2-en-3-yl]sulfanyl-2H-1,2,4-triazine-3,5-dione Openeye Name: 6-[(E)-1-acetyl-2-hydroxy-prop-1-enyl]sulfanyl-2H-1,2,4-triazine-3,5-dione CAS Name: 6-[[(E)-2-hydroxy-4-oxopent-2-en-3-yl]thio]-2H-1,2,4-triazine-3,5-dione IUPAC Name: 6-[(E)-2-hydroxy-4-oxopent-2-en-3-yl]sulfanyl-2H-1,2,4-triazine-3,5-dione Traditional Name: 6-[[(E)-1-acetyl-2-hydroxy-prop-1-enyl]thio]-2H-1,2,4-triazine-3,5-quinone Formula: C8H9N3O4S MolecularWeight: 243.23976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)C)SC1=NNC(=O)NC1=O)O

Isomeric SMILES

C/C(=C(/C(=O)C)\SC1=NNC(=O)NC1=O)/O

InChI

InChI=1S/C8H9N3O4S/c1-3(12)5(4(2)13)16-7-6(14)9-8(15)11-10-7/h12H,1-2H3,(H2,9,11,14,15)/b5-3+