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

Systemtic Name: 1-[(2,4-dimethyl-1H-1,2,3-triazol-3-yl)sulfanyl]propan-2-one Openeye Name: 1-[(2,4-dimethyl-1H-triazol-3-yl)sulfanyl]propan-2-one CAS Name: 1-[(2,4-dimethyl-1H-triazol-3-yl)thio]-2-propanone IUPAC Name: 1-[(2,4-dimethyl-1H-triazol-3-yl)sulfanyl]propan-2-one Traditional Name: 1-[(2,4-dimethyl-1H-triazol-3-yl)thio]acetone Formula: C7H13N3OS MolecularWeight: 187.26262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNN(N1SCC(=O)C)C

Isomeric SMILES

CC1=CNN(N1SCC(=O)C)C

InChI

InChI=1S/C7H13N3OS/c1-6-4-8-9(3)10(6)12-5-7(2)11/h4,8H,5H2,1-3H3