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

Systemtic Name: 3-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(3-acetyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(3-acetyl-2,4,6-trimethylphenyl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(3-acetyl-2,4,6-trimethyl-benzyl)thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=C(C=C(C(=C2C)C(=O)C)C)C

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=C(C=C(C(=C2C)C(=O)C)C)C

InChI

InChI=1S/C17H23N3O2S/c1-6-7-20-16(22)18-19-17(20)23-9-14-10(2)8-11(3)15(12(14)4)13(5)21/h8H,6-7,9H2,1-5H3,(H,18,22)