2-(3-cyano-4-phenyl-phenyl)-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-(3-cyano-4-phenyl-phenyl)-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(3-cyano-4-phenyl-phenyl)thiazole-5-carboxylic acid CAS Name: 2-(3-cyano-4-phenylphenyl)-5-thiazolecarboxylic acid IUPAC Name: 2-(3-cyano-4-phenylphenyl)-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(3-cyano-4-phenyl-phenyl)thiazole-5-carboxylic acid Formula: C17H10N2O2S MolecularWeight: 306.3385

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2)C3=NC=C(S3)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)C3=NC=C(S3)C(=O)O)C#N

InChI

InChI=1S/C17H10N2O2S/c18-9-13-8-12(16-19-10-15(22-16)17(20)21)6-7-14(13)11-4-2-1-3-5-11/h1-8,10H,(H,20,21)