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

Systemtic Name: 1-(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)propan-1-one Openeye Name: 1-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)propan-1-one CAS Name: 1-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 1-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)propan-1-one Traditional Name: 1-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]propan-1-one Formula: C6H10N4OS MolecularWeight: 186.2348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10N4OS/c1-3-4(11)10-5(7)8-6(9-10)12-2/h3H2,1-2H3,(H2,7,8,9)