1-(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)octan-1-one

Systemtic Name: 1-(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)octan-1-one Openeye Name: 1-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)octan-1-one CAS Name: 1-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-1-octanone IUPAC Name: 1-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)octan-1-one Traditional Name: 1-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]octan-1-one Formula: C11H20N4OS MolecularWeight: 256.3677

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1C(=NC(=N1)SC)N

Isomeric SMILES

CCCCCCCC(=O)N1C(=NC(=N1)SC)N

InChI

InChI=1S/C11H20N4OS/c1-3-4-5-6-7-8-9(16)15-10(12)13-11(14-15)17-2/h3-8H2,1-2H3,(H2,12,13,14)