4-butyl-3-[2-oxidanyl-3-(4-propanoylphenoxy)propyl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[2-oxidanyl-3-(4-propanoylphenoxy)propyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[2-hydroxy-3-(4-propanoylphenoxy)propyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-hydroxy-3-[4-(1-oxopropyl)phenoxy]propyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-hydroxy-3-(4-propanoylphenoxy)propyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[2-hydroxy-3-(4-propionylphenoxy)propyl]thio]-1H-1,2,4-triazol-5-one Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(COC2=CC=C(C=C2)C(=O)CC)O

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(COC2=CC=C(C=C2)C(=O)CC)O

InChI

InChI=1S/C18H25N3O4S/c1-3-5-10-21-17(24)19-20-18(21)26-12-14(22)11-25-15-8-6-13(7-9-15)16(23)4-2/h6-9,14,22H,3-5,10-12H2,1-2H3,(H,19,24)