3-(1H-1,2,4-triazol-5-ylsulfanyl)pentane-2,4-dione

Systemtic Name: 3-(1H-1,2,4-triazol-5-ylsulfanyl)pentane-2,4-dione Openeye Name: 3-(1H-1,2,4-triazol-5-ylsulfanyl)pentane-2,4-dione CAS Name: 3-(1H-1,2,4-triazol-5-ylthio)pentane-2,4-dione IUPAC Name: 3-(1H-1,2,4-triazol-5-ylsulfanyl)pentane-2,4-dione Traditional Name: 3-(1H-1,2,4-triazol-5-ylthio)pentane-2,4-dione Formula: C7H9N3O2S MolecularWeight: 199.23026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)SC1=NC=NN1

Isomeric SMILES

CC(=O)C(C(=O)C)SC1=NC=NN1

InChI

InChI=1S/C7H9N3O2S/c1-4(11)6(5(2)12)13-7-8-3-9-10-7/h3,6H,1-2H3,(H,8,9,10)