3-(2-oxidanylidenepropylsulfanyl)-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(2-oxidanylidenepropylsulfanyl)-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-acetonylsulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-(2-oxopropylthio)-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-(2-oxopropylsulfanyl)-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-(acetonylthio)-4-propyl-1H-1,2,4-triazol-5-one Formula: C8H13N3O2S MolecularWeight: 215.27272

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C

InChI

InChI=1S/C8H13N3O2S/c1-3-4-11-7(13)9-10-8(11)14-5-6(2)12/h3-5H2,1-2H3,(H,9,13)