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

Systemtic Name: 2-[(4-phenyl-1,3-thiazol-2-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(4-phenylthiazol-2-yl)methylsulfanyl]benzoic acid CAS Name: 2-[(4-phenyl-2-thiazolyl)methylthio]benzoic acid IUPAC Name: 2-[(4-phenyl-1,3-thiazol-2-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(4-phenylthiazol-2-yl)methylthio]benzoic acid Formula: C17H13NO2S2 MolecularWeight: 327.42062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H13NO2S2/c19-17(20)13-8-4-5-9-15(13)21-11-16-18-14(10-22-16)12-6-2-1-3-7-12/h1-10H,11H2,(H,19,20)