4-(3-bromanylpropyl)-1H-1,2,4-triazole-5-thione; nitrobenzene

Systemtic Name: 4-(3-bromanylpropyl)-1H-1,2,4-triazole-5-thione; nitrobenzene Openeye Name: 4-(3-bromopropyl)-1H-1,2,4-triazole-5-thione; nitrobenzene CAS Name: 4-(3-bromopropyl)-1H-1,2,4-triazole-5-thione; nitrobenzene IUPAC Name: 4-(3-bromopropyl)-1H-1,2,4-triazole-5-thione; nitrobenzene Traditional Name: 4-(3-bromopropyl)-1H-1,2,4-triazole-5-thione; nitrobenzene Formula: C11H13BrN4O2S MolecularWeight: 345.21552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+](=O)[O-].C1=NNC(=S)N1CCCBr

Isomeric SMILES

C1=CC=C(C=C1)[N+](=O)[O-].C1=NNC(=S)N1CCCBr

InChI

InChI=1S/C6H5NO2.C5H8BrN3S/c8-7(9)6-4-2-1-3-5-6;6-2-1-3-9-4-7-8-5(9)10/h1-5H;4H,1-3H2,(H,8,10)