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

Systemtic Name: 2-[(2-phenylazanyl-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(2-anilinothiazol-4-yl)methylsulfanyl]benzoic acid CAS Name: 2-[(2-anilino-4-thiazolyl)methylthio]benzoic acid IUPAC Name: 2-[(2-anilino-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(2-anilinothiazol-4-yl)methylthio]benzoic acid Formula: C17H14N2O2S2 MolecularWeight: 342.43526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=CS2)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=CS2)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H14N2O2S2/c20-16(21)14-8-4-5-9-15(14)22-10-13-11-23-17(19-13)18-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,18,19)(H,20,21)