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

Systemtic Name: 1-(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)-2-methyl-propan-1-one Openeye Name: 1-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)-2-methyl-propan-1-one CAS Name: 1-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-2-methyl-1-propanone IUPAC Name: 1-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)-2-methylpropan-1-one Traditional Name: 1-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one Formula: C7H12N4OS MolecularWeight: 200.26138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12N4OS/c1-4(2)5(12)11-6(8)9-7(10-11)13-3/h4H,1-3H3,(H2,8,9,10)