6-(3-oxidanylideneoct-1-enylsulfanyl)-2H-1,2,4-triazine-3,5-dione

Systemtic Name: 6-(3-oxidanylideneoct-1-enylsulfanyl)-2H-1,2,4-triazine-3,5-dione Openeye Name: 6-(3-oxooct-1-enylsulfanyl)-2H-1,2,4-triazine-3,5-dione CAS Name: 6-(3-oxooct-1-enylthio)-2H-1,2,4-triazine-3,5-dione IUPAC Name: 6-(3-oxooct-1-enylsulfanyl)-2H-1,2,4-triazine-3,5-dione Traditional Name: 6-(3-ketooct-1-enylthio)-2H-1,2,4-triazine-3,5-quinone Formula: C11H15N3O3S MolecularWeight: 269.3201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C=CSC1=NNC(=O)NC1=O

Isomeric SMILES

CCCCCC(=O)C=CSC1=NNC(=O)NC1=O

InChI

InChI=1S/C11H15N3O3S/c1-2-3-4-5-8(15)6-7-18-10-9(16)12-11(17)14-13-10/h6-7H,2-5H2,1H3,(H2,12,14,16,17)