1-[(5-octyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one

Systemtic Name: 1-[(5-octyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Openeye Name: 1-[(5-octyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one CAS Name: 1-[(5-octyl-1H-1,2,4-triazol-3-yl)thio]-2-propanone IUPAC Name: 1-[(5-octyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Traditional Name: 1-[(5-octyl-1H-1,2,4-triazol-3-yl)thio]acetone Formula: C13H23N3OS MolecularWeight: 269.40622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC(=NN1)SCC(=O)C

Isomeric SMILES

CCCCCCCCC1=NC(=NN1)SCC(=O)C

InChI

InChI=1S/C13H23N3OS/c1-3-4-5-6-7-8-9-12-14-13(16-15-12)18-10-11(2)17/h3-10H2,1-2H3,(H,14,15,16)