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

Systemtic Name: 6-(3-methylbutylsulfanyl)-2H-1,2,4-triazine-3,5-dione Openeye Name: 6-isopentylsulfanyl-2H-1,2,4-triazine-3,5-dione CAS Name: 6-(3-methylbutylthio)-2H-1,2,4-triazine-3,5-dione IUPAC Name: 6-(3-methylbutylsulfanyl)-2H-1,2,4-triazine-3,5-dione Traditional Name: 6-(isoamylthio)-2H-1,2,4-triazine-3,5-quinone Formula: C8H13N3O2S MolecularWeight: 215.27272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NNC(=O)NC1=O

Isomeric SMILES

CC(C)CCSC1=NNC(=O)NC1=O

InChI

InChI=1S/C8H13N3O2S/c1-5(2)3-4-14-7-6(12)9-8(13)11-10-7/h5H,3-4H2,1-2H3,(H2,9,11,12,13)