4-cyanobenzamide; 1,3-thiazole-4-carboxylic acid

Systemtic Name: 4-cyanobenzamide; 1,3-thiazole-4-carboxylic acid Openeye Name: 4-cyanobenzamide; thiazole-4-carboxylic acid CAS Name: 4-cyanobenzamide; 4-thiazolecarboxylic acid IUPAC Name: 4-cyanobenzamide; 1,3-thiazole-4-carboxylic acid Traditional Name: 4-cyanobenzamide; thiazole-4-carboxylic acid Formula: C12H9N3O3S MolecularWeight: 275.28316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)N.C1=C(N=CS1)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)N.C1=C(N=CS1)C(=O)O

InChI

InChI=1S/C8H6N2O.C4H3NO2S/c9-5-6-1-3-7(4-2-6)8(10)11;6-4(7)3-1-8-2-5-3/h1-4H,(H2,10,11);1-2H,(H,6,7)