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

Systemtic Name: 3-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C19H16BrN5O2S MolecularWeight: 458.33164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=NC(=NO3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=NC(=NO3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C19H16BrN5O2S/c20-15-8-4-7-14(11-15)17-21-16(27-24-17)12-28-19-23-22-18(26)25(19)10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,22,26)