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

Systemtic Name: pentyl 5-bromanyl-1,2,3-thiadiazole-4-carboxylate Openeye Name: pentyl 5-bromothiadiazole-4-carboxylate CAS Name: 5-bromo-4-thiadiazolecarboxylic acid pentyl ester IUPAC Name: pentyl 5-bromothiadiazole-4-carboxylate Traditional Name: 5-bromothiadiazole-4-carboxylic acid amyl ester Formula: C8H11BrN2O2S MolecularWeight: 279.15414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11BrN2O2S/c1-2-3-4-5-13-8(12)6-7(9)14-11-10-6/h2-5H2,1H3