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

Systemtic Name: 3-[(3-methoxyphenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(3-methoxyphenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(3-methoxyphenyl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(3-methoxyphenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-(m-anisylthio)-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C18H19N3O2S MolecularWeight: 341.42736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2S/c1-23-16-9-5-8-15(12-16)13-24-18-20-19-17(22)21(18)11-10-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H,19,22)