butyl 1-(2,1,3-benzothiadiazol-4-yl)-3-methyl-pyrazole-4-carboxylate

Systemtic Name: butyl 1-(2,1,3-benzothiadiazol-4-yl)-3-methyl-pyrazole-4-carboxylate Openeye Name: butyl 1-(2,1,3-benzothiadiazol-4-yl)-3-methyl-pyrazole-4-carboxylate CAS Name: 1-(2,1,3-benzothiadiazol-4-yl)-3-methyl-4-pyrazolecarboxylic acid butyl ester IUPAC Name: butyl 1-(2,1,3-benzothiadiazol-4-yl)-3-methylpyrazole-4-carboxylate Traditional Name: 3-methyl-1-piazthiol-4-yl-pyrazole-4-carboxylic acid butyl ester Formula: C15H16N4O2S MolecularWeight: 316.37814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CN(N=C1C)C2=CC=CC3=NSN=C32

Isomeric SMILES

CCCCOC(=O)C1=CN(N=C1C)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C15H16N4O2S/c1-3-4-8-21-15(20)11-9-19(16-10(11)2)13-7-5-6-12-14(13)18-22-17-12/h5-7,9H,3-4,8H2,1-2H3