1-(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)pentane-1,4-dione

Systemtic Name: 1-(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)pentane-1,4-dione Openeye Name: 1-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)pentane-1,4-dione CAS Name: 1-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]pentane-1,4-dione IUPAC Name: 1-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)pentane-1,4-dione Traditional Name: 1-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]pentane-1,4-dione Formula: C8H12N4O2S MolecularWeight: 228.27148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)N1C(=NC(=N1)SC)N

Isomeric SMILES

CC(=O)CCC(=O)N1C(=NC(=N1)SC)N

InChI

InChI=1S/C8H12N4O2S/c1-5(13)3-4-6(14)12-7(9)10-8(11-12)15-2/h3-4H2,1-2H3,(H2,9,10,11)