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

Systemtic Name: 3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C15H17N5O2S MolecularWeight: 331.39278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=NC(=NO2)C3=CC=CC=C3C

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=NC(=NO2)C3=CC=CC=C3C

InChI

InChI=1S/C15H17N5O2S/c1-3-8-20-14(21)17-18-15(20)23-9-12-16-13(19-22-12)11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,17,21)