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

Systemtic Name: 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-prop-2-enyl-pyrazole-3-carboxylic acid Openeye Name: 1-allyl-5-(2-benzamido-4-methyl-thiazol-5-yl)pyrazole-3-carboxylic acid CAS Name: 5-(2-benzamido-4-methyl-5-thiazolyl)-1-prop-2-enyl-3-pyrazolecarboxylic acid IUPAC Name: 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-prop-2-enylpyrazole-3-carboxylic acid Traditional Name: 1-allyl-5-(2-benzamido-4-methyl-thiazol-5-yl)pyrazole-3-carboxylic acid Formula: C18H16N4O3S MolecularWeight: 368.40964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CC(=NN3CC=C)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CC(=NN3CC=C)C(=O)O

InChI

InChI=1S/C18H16N4O3S/c1-3-9-22-14(10-13(21-22)17(24)25)15-11(2)19-18(26-15)20-16(23)12-7-5-4-6-8-12/h3-8,10H,1,9H2,2H3,(H,24,25)(H,19,20,23)