5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(4-bromophenyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(4-bromophenyl)pyrazole-3-carboxylic acid Openeye Name: 5-(2-benzamido-4-methyl-thiazol-5-yl)-1-(4-bromophenyl)pyrazole-3-carboxylic acid CAS Name: 5-(2-benzamido-4-methyl-5-thiazolyl)-1-(4-bromophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(4-bromophenyl)pyrazole-3-carboxylic acid Traditional Name: 5-(2-benzamido-4-methyl-thiazol-5-yl)-1-(4-bromophenyl)pyrazole-3-carboxylic acid Formula: C21H15BrN4O3S MolecularWeight: 483.3378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CC(=NN3C4=CC=C(C=C4)Br)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CC(=NN3C4=CC=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C21H15BrN4O3S/c1-12-18(30-21(23-12)24-19(27)13-5-3-2-4-6-13)17-11-16(20(28)29)25-26(17)15-9-7-14(22)8-10-15/h2-11H,1H3,(H,28,29)(H,23,24,27)