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

Systemtic Name: 3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-1H-1,2,4-triazol-5-yl]amine Formula: C11H9BrN6OS MolecularWeight: 353.19776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(O2)CSC3=NNC(=N3)N)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(O2)CSC3=NNC(=N3)N)Br

InChI

InChI=1S/C11H9BrN6OS/c12-7-3-1-6(2-4-7)9-16-15-8(19-9)5-20-11-14-10(13)17-18-11/h1-4H,5H2,(H3,13,14,17,18)