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

Systemtic Name: 1-(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)-2-methyl-butan-1-one Openeye Name: 1-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)-2-methyl-butan-1-one CAS Name: 1-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-2-methyl-1-butanone IUPAC Name: 1-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)-2-methylbutan-1-one Traditional Name: 1-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-2-methyl-butan-1-one Formula: C8H14N4OS MolecularWeight: 214.28796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14N4OS/c1-4-5(2)6(13)12-7(9)10-8(11-12)14-3/h5H,4H2,1-3H3,(H2,9,10,11)