5-(3-methyl-1-benzothiophen-2-yl)-2-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-(3-methyl-1-benzothiophen-2-yl)-2-phenyl-pyrazole-3-carboxylic acid Openeye Name: 5-(3-methylbenzothiophen-2-yl)-2-phenyl-pyrazole-3-carboxylic acid CAS Name: 5-(3-methyl-1-benzothiophen-2-yl)-2-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 5-(3-methyl-1-benzothiophen-2-yl)-2-phenylpyrazole-3-carboxylic acid Traditional Name: 5-(3-methylbenzothiophen-2-yl)-2-phenyl-pyrazole-3-carboxylic acid Formula: C19H14N2O2S MolecularWeight: 334.39166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C3=NN(C(=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C3=NN(C(=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C19H14N2O2S/c1-12-14-9-5-6-10-17(14)24-18(12)15-11-16(19(22)23)21(20-15)13-7-3-2-4-8-13/h2-11H,1H3,(H,22,23)