1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one

Systemtic Name: 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Openeye Name: 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one CAS Name: 1-[(4-methyl-1,2,4-triazol-3-yl)thio]-2-propanone IUPAC Name: 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Traditional Name: 1-[(4-methyl-1,2,4-triazol-3-yl)thio]acetone Formula: C6H9N3OS MolecularWeight: 171.22016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=CN1C

Isomeric SMILES

CC(=O)CSC1=NN=CN1C

InChI

InChI=1S/C6H9N3OS/c1-5(10)3-11-6-8-7-4-9(6)2/h4H,3H2,1-2H3