1-[2-(3-bromanylphenoxy)ethyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[2-(3-bromanylphenoxy)ethyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[2-(3-bromophenoxy)ethyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[2-(3-bromophenoxy)ethyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[2-(3-bromophenoxy)ethyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-[2-(3-bromophenoxy)ethyl]-4-(2-thienyl)tetrazol-5-one Formula: C13H11BrN4O2S MolecularWeight: 367.22104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OCCN2C(=O)N(N=N2)C3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)Br)OCCN2C(=O)N(N=N2)C3=CC=CS3

InChI

InChI=1S/C13H11BrN4O2S/c14-10-3-1-4-11(9-10)20-7-6-17-13(19)18(16-15-17)12-5-2-8-21-12/h1-5,8-9H,6-7H2