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

Systemtic Name: 3-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(3-acetyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(3-acetyl-2,4,6-trimethylphenyl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(3-acetyl-2,4,6-trimethyl-benzyl)thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NNC(=O)N2CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NNC(=O)N2CCC3=CC=CC=C3)C

InChI

InChI=1S/C22H25N3O2S/c1-14-12-15(2)20(17(4)26)16(3)19(14)13-28-22-24-23-21(27)25(22)11-10-18-8-6-5-7-9-18/h5-9,12H,10-11,13H2,1-4H3,(H,23,27)