(4-bromophenyl)methyl 2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanoate

Systemtic Name: (4-bromophenyl)methyl 2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanoate Openeye Name: (4-bromophenyl)methyl 2-[5-(3-thienyl)tetrazol-2-yl]acetate CAS Name: 2-[5-(3-thiophenyl)-2-tetrazolyl]acetic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate Traditional Name: 2-[5-(3-thienyl)tetrazol-2-yl]acetic acid (4-bromobenzyl) ester Formula: C14H11BrN4O2S MolecularWeight: 379.23174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)CN2N=C(N=N2)C3=CSC=C3)Br

Isomeric SMILES

C1=CC(=CC=C1COC(=O)CN2N=C(N=N2)C3=CSC=C3)Br

InChI

InChI=1S/C14H11BrN4O2S/c15-12-3-1-10(2-4-12)8-21-13(20)7-19-17-14(16-18-19)11-5-6-22-9-11/h1-6,9H,7-8H2