ethyl 3-bromanyl-4-(1,2,3-thiadiazol-4-ylmethylamino)benzoate

Systemtic Name: ethyl 3-bromanyl-4-(1,2,3-thiadiazol-4-ylmethylamino)benzoate Openeye Name: ethyl 3-bromo-4-(thiadiazol-4-ylmethylamino)benzoate CAS Name: 3-bromo-4-(4-thiadiazolylmethylamino)benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-(thiadiazol-4-ylmethylamino)benzoate Traditional Name: 3-bromo-4-(thiadiazol-4-ylmethylamino)benzoic acid ethyl ester Formula: C12H12BrN3O2S MolecularWeight: 342.21158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NCC2=CSN=N2)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NCC2=CSN=N2)Br

InChI

InChI=1S/C12H12BrN3O2S/c1-2-18-12(17)8-3-4-11(10(13)5-8)14-6-9-7-19-16-15-9/h3-5,7,14H,2,6H2,1H3