(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C13H8BrClN4O2S MolecularWeight: 399.65022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(=C2)C(=O)OCC3=C(SN=N3)Cl)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(=C2)C(=O)OCC3=C(SN=N3)Cl)Br

InChI

InChI=1S/C13H8BrClN4O2S/c14-8-3-1-7(2-4-8)9-5-10(17-16-9)13(20)21-6-11-12(15)22-19-18-11/h1-5H,6H2,(H,16,17)