5-phenethyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylic acid

Systemtic Name: 5-phenethyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylic acid Openeye Name: 5-phenethyl-1-(4-phenylthiazol-2-yl)pyrazole-4-carboxylic acid CAS Name: 5-phenethyl-1-(4-phenyl-2-thiazolyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-phenethyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylic acid Traditional Name: 5-phenethyl-1-(4-phenylthiazol-2-yl)pyrazole-4-carboxylic acid Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C=NN2C3=NC(=CS3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C=NN2C3=NC(=CS3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H17N3O2S/c25-20(26)17-13-22-24(19(17)12-11-15-7-3-1-4-8-15)21-23-18(14-27-21)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H,25,26)