3-[4-(4-tert-butylphenyl)-3-cyano-phenyl]-1,2-thiazole-5-carboxylic acid

Systemtic Name: 3-[4-(4-tert-butylphenyl)-3-cyano-phenyl]-1,2-thiazole-5-carboxylic acid Openeye Name: 3-[4-(4-tert-butylphenyl)-3-cyano-phenyl]isothiazole-5-carboxylic acid CAS Name: 3-[4-(4-tert-butylphenyl)-3-cyanophenyl]-5-isothiazolecarboxylic acid IUPAC Name: 3-[4-(4-tert-butylphenyl)-3-cyanophenyl]-1,2-thiazole-5-carboxylic acid Traditional Name: 3-[4-(4-tert-butylphenyl)-3-cyano-phenyl]isothiazole-5-carboxylic acid Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C=C(C=C2)C3=NSC(=C3)C(=O)O)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C=C(C=C2)C3=NSC(=C3)C(=O)O)C#N

InChI

InChI=1S/C21H18N2O2S/c1-21(2,3)16-7-4-13(5-8-16)17-9-6-14(10-15(17)12-22)18-11-19(20(24)25)26-23-18/h4-11H,1-3H3,(H,24,25)