1-(3-methyl-5-methylsulfanyl-1,2,4-triazol-1-yl)ethanone

Systemtic Name: 1-(3-methyl-5-methylsulfanyl-1,2,4-triazol-1-yl)ethanone Openeye Name: 1-(3-methyl-5-methylsulfanyl-1,2,4-triazol-1-yl)ethanone CAS Name: 1-[3-methyl-5-(methylthio)-1,2,4-triazol-1-yl]ethanone IUPAC Name: 1-(3-methyl-5-methylsulfanyl-1,2,4-triazol-1-yl)ethanone Traditional Name: 1-[3-methyl-5-(methylthio)-1,2,4-triazol-1-yl]ethanone Formula: C6H9N3OS MolecularWeight: 171.22016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N1)SC)C(=O)C

Isomeric SMILES

CC1=NN(C(=N1)SC)C(=O)C

InChI

InChI=1S/C6H9N3OS/c1-4-7-6(11-3)9(8-4)5(2)10/h1-3H3