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

Systemtic Name: 4-butyl-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-1H-1,2,4-triazol-5-one Formula: C16H19N5O3S MolecularWeight: 361.41876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=NC(=NO2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=NC(=NO2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C16H19N5O3S/c1-3-4-9-21-15(22)18-19-16(21)25-10-13-17-14(20-24-13)11-5-7-12(23-2)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,18,22)