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

Systemtic Name: 3-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-butyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-butyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-butyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-butyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-butyl-1H-1,2,4-triazol-5-one Formula: C15H16BrN5O2S MolecularWeight: 410.28884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrN5O2S/c1-2-3-7-21-14(22)18-19-15(21)24-9-12-17-13(20-23-12)10-5-4-6-11(16)8-10/h4-6,8H,2-3,7,9H2,1H3,(H,18,22)