4-[(2-chloranyl-1,3-thiazol-5-yl)methylsulfanyl]benzoic acid

Systemtic Name: 4-[(2-chloranyl-1,3-thiazol-5-yl)methylsulfanyl]benzoic acid Openeye Name: 4-[(2-chlorothiazol-5-yl)methylsulfanyl]benzoic acid CAS Name: 4-[(2-chloro-5-thiazolyl)methylthio]benzoic acid IUPAC Name: 4-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]benzoic acid Traditional Name: 4-[(2-chlorothiazol-5-yl)methylthio]benzoic acid Formula: C11H8ClNO2S2 MolecularWeight: 285.76972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SCC2=CN=C(S2)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SCC2=CN=C(S2)Cl

InChI

InChI=1S/C11H8ClNO2S2/c12-11-13-5-9(17-11)6-16-8-3-1-7(2-4-8)10(14)15/h1-5H,6H2,(H,14,15)