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

Systemtic Name: 3-[(2,5-dimethoxyphenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(2,5-dimethoxyphenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(2,5-dimethoxyphenyl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2,5-dimethoxyphenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2,5-dimethoxybenzyl)thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C19H21N3O3S MolecularWeight: 371.45334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CSC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CSC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O3S/c1-24-16-8-9-17(25-2)15(12-16)13-26-19-21-20-18(23)22(19)11-10-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3,(H,20,23)