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

Systemtic Name: 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylsulfanyl]benzoic acid Openeye Name: 2-[[4-(4-chlorophenyl)thiazol-2-yl]methylsulfanyl]benzoic acid CAS Name: 2-[[4-(4-chlorophenyl)-2-thiazolyl]methylthio]benzoic acid IUPAC Name: 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylsulfanyl]benzoic acid Traditional Name: 2-[[4-(4-chlorophenyl)thiazol-2-yl]methylthio]benzoic acid Formula: C17H12ClNO2S2 MolecularWeight: 361.86568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC2=NC(=CS2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC2=NC(=CS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H12ClNO2S2/c18-12-7-5-11(6-8-12)14-9-23-16(19-14)10-22-15-4-2-1-3-13(15)17(20)21/h1-9H,10H2,(H,20,21)