4-(3-methoxypropyl)-3-[(4-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-(3-methoxypropyl)-3-[(4-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-(3-methoxypropyl)-3-(p-tolylmethylsulfanyl)-1H-1,2,4-triazol-5-one CAS Name: 4-(3-methoxypropyl)-3-[(4-methylphenyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-(3-methoxypropyl)-3-[(4-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-(3-methoxypropyl)-3-[(4-methylbenzyl)thio]-1H-1,2,4-triazol-5-one Formula: C14H19N3O2S MolecularWeight: 293.38456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NNC(=O)N2CCCOC

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NNC(=O)N2CCCOC

InChI

InChI=1S/C14H19N3O2S/c1-11-4-6-12(7-5-11)10-20-14-16-15-13(18)17(14)8-3-9-19-2/h4-7H,3,8-10H2,1-2H3,(H,15,18)