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

Systemtic Name: 4-butyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methylthio]-1H-1,2,4-triazol-5-one Formula: C13H15N5O2S2 MolecularWeight: 337.4205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O2S2/c1-2-3-5-18-12(19)15-16-13(18)22-8-10-14-11(17-20-10)9-4-6-21-7-9/h4,6-7H,2-3,5,8H2,1H3,(H,15,19)