6-(1H-1,2,4-triazol-5-ylsulfanyl)hexan-2-one

Systemtic Name: 6-(1H-1,2,4-triazol-5-ylsulfanyl)hexan-2-one Openeye Name: 6-(1H-1,2,4-triazol-5-ylsulfanyl)hexan-2-one CAS Name: 6-(1H-1,2,4-triazol-5-ylthio)-2-hexanone IUPAC Name: 6-(1H-1,2,4-triazol-5-ylsulfanyl)hexan-2-one Traditional Name: 6-(1H-1,2,4-triazol-5-ylthio)hexan-2-one Formula: C8H13N3OS MolecularWeight: 199.27332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCSC1=NC=NN1

Isomeric SMILES

CC(=O)CCCCSC1=NC=NN1

InChI

InChI=1S/C8H13N3OS/c1-7(12)4-2-3-5-13-8-9-6-10-11-8/h6H,2-5H2,1H3,(H,9,10,11)