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

Systemtic Name: 4-butyl-3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methylthio]-1H-1,2,4-triazol-5-one Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O2S/c1-3-4-9-21-15(22)18-19-16(21)24-10-13-17-14(20-23-13)12-7-5-11(2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,18,22)