3-cyanobenzamide; methyl 1,3-thiazole-4-carboxylate; hydrochloride

Systemtic Name: 3-cyanobenzamide; methyl 1,3-thiazole-4-carboxylate; hydrochloride Openeye Name: 3-cyanobenzamide; methyl thiazole-4-carboxylate; hydrochloride CAS Name: 3-cyanobenzamide; 4-thiazolecarboxylic acid methyl ester; hydrochloride IUPAC Name: 3-cyanobenzamide; methyl 1,3-thiazole-4-carboxylate; hydrochloride Traditional Name: 3-cyanobenzamide; thiazole-4-carboxylic acid methyl ester; hydrochloride Formula: C13H12ClN3O3S MolecularWeight: 325.77068

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC=N1.C1=CC(=CC(=C1)C(=O)N)C#N.Cl

Isomeric SMILES

COC(=O)C1=CSC=N1.C1=CC(=CC(=C1)C(=O)N)C#N.Cl

InChI

InChI=1S/C8H6N2O.C5H5NO2S.ClH/c9-5-6-2-1-3-7(4-6)8(10)11;1-8-5(7)4-2-9-3-6-4;/h1-4H,(H2,10,11);2-3H,1H3;1H