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

Systemtic Name: 4-butyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C13H21N5O2S MolecularWeight: 311.40314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=NOC(=N2)C(C)(C)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=NOC(=N2)C(C)(C)C

InChI

InChI=1S/C13H21N5O2S/c1-5-6-7-18-11(19)15-16-12(18)21-8-9-14-10(20-17-9)13(2,3)4/h5-8H2,1-4H3,(H,15,19)