4-butyl-3-[2-(2-ethanoylphenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[2-(2-ethanoylphenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(2-acetylphenoxy)ethylsulfanyl]-4-butyl-1H-1,2,4-triazol-5-one CAS Name: 3-[2-(2-acetylphenoxy)ethylthio]-4-butyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(2-acetylphenoxy)ethylsulfanyl]-4-butyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[2-(2-acetylphenoxy)ethylthio]-4-butyl-1H-1,2,4-triazol-5-one Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCCOC2=CC=CC=C2C(=O)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCCOC2=CC=CC=C2C(=O)C

InChI

InChI=1S/C16H21N3O3S/c1-3-4-9-19-15(21)17-18-16(19)23-11-10-22-14-8-6-5-7-13(14)12(2)20/h5-8H,3-4,9-11H2,1-2H3,(H,17,21)