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

Systemtic Name: 3-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(5-acetyl-2-ethoxy-phenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(5-acetyl-2-ethoxyphenyl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(5-acetyl-2-ethoxy-benzyl)thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-3-27-19-10-9-17(15(2)25)13-18(19)14-28-21-23-22-20(26)24(21)12-11-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3,(H,22,26)