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

Systemtic Name: 3-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(5-acetyl-2-methoxyphenyl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(5-acetyl-2-methoxy-benzyl)thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-14(24)16-8-9-18(26-2)17(12-16)13-27-20-22-21-19(25)23(20)11-10-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,21,25)