(4-bromophenyl)methyl 3-(1,2,3,4-tetrazol-1-yl)thiophene-2-carboxylate

Systemtic Name: (4-bromophenyl)methyl 3-(1,2,3,4-tetrazol-1-yl)thiophene-2-carboxylate Openeye Name: (4-bromophenyl)methyl 3-(tetrazol-1-yl)thiophene-2-carboxylate CAS Name: 3-(1-tetrazolyl)-2-thiophenecarboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 3-(tetrazol-1-yl)thiophene-2-carboxylate Traditional Name: 3-(tetrazol-1-yl)thiophene-2-carboxylic acid (4-bromobenzyl) ester Formula: C13H9BrN4O2S MolecularWeight: 365.20516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2=C(C=CS2)N3C=NN=N3)Br

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2=C(C=CS2)N3C=NN=N3)Br

InChI

InChI=1S/C13H9BrN4O2S/c14-10-3-1-9(2-4-10)7-20-13(19)12-11(5-6-21-12)18-8-15-16-17-18/h1-6,8H,7H2