octyl 5-bromanyl-1,2,3-thiadiazole-4-carboxylate

Systemtic Name: octyl 5-bromanyl-1,2,3-thiadiazole-4-carboxylate Openeye Name: octyl 5-bromothiadiazole-4-carboxylate CAS Name: 5-bromo-4-thiadiazolecarboxylic acid octyl ester IUPAC Name: octyl 5-bromothiadiazole-4-carboxylate Traditional Name: 5-bromothiadiazole-4-carboxylic acid octyl ester Formula: C11H17BrN2O2S MolecularWeight: 321.23388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(SN=N1)Br

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(SN=N1)Br

InChI

InChI=1S/C11H17BrN2O2S/c1-2-3-4-5-6-7-8-16-11(15)9-10(12)17-14-13-9/h2-8H2,1H3