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

Systemtic Name: 4-butyl-3-(2-oxidanylidenepropylsulfanyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-acetonylsulfanyl-4-butyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-(2-oxopropylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-(2-oxopropylsulfanyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-(acetonylthio)-4-butyl-1H-1,2,4-triazol-5-one Formula: C9H15N3O2S MolecularWeight: 229.2993

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)C

InChI

InChI=1S/C9H15N3O2S/c1-3-4-5-12-8(14)10-11-9(12)15-6-7(2)13/h3-6H2,1-2H3,(H,10,14)