4-butyl-3-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 3-[(3-acetyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-4-butyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(3-acetyl-2,4,6-trimethylphenyl)methylthio]-4-butyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-4-butyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(3-acetyl-2,4,6-trimethyl-benzyl)thio]-4-butyl-1H-1,2,4-triazol-5-one Formula: C18H25N3O2S MolecularWeight: 347.475

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=C(C=C(C(=C2C)C(=O)C)C)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=C(C=C(C(=C2C)C(=O)C)C)C

InChI

InChI=1S/C18H25N3O2S/c1-6-7-8-21-17(23)19-20-18(21)24-10-15-11(2)9-12(3)16(13(15)4)14(5)22/h9H,6-8,10H2,1-5H3,(H,19,23)