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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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