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

Systemtic Name: 3-(3-chloranyl-5-sulfanyl-phenyl)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-(3-chloro-5-sulfanyl-phenyl)isothiazole-4-carboxylic acid CAS Name: 3-(3-chloro-5-mercaptophenyl)-4-isothiazolecarboxylic acid IUPAC Name: 3-(3-chloro-5-sulfanylphenyl)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(3-chloro-5-mercapto-phenyl)isothiazole-4-carboxylic acid Formula: C10H6ClNO2S2 MolecularWeight: 271.74314

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1S)Cl)C2=NSC=C2C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1S)Cl)C2=NSC=C2C(=O)O

InChI

InChI=1S/C10H6ClNO2S2/c11-6-1-5(2-7(15)3-6)9-8(10(13)14)4-16-12-9/h1-4,15H,(H,13,14)