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

Systemtic Name: 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylsulfanyl]benzoic acid Openeye Name: 2-[[4-(p-tolyl)thiazol-2-yl]methylsulfanyl]benzoic acid CAS Name: 2-[[4-(4-methylphenyl)-2-thiazolyl]methylthio]benzoic acid IUPAC Name: 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylsulfanyl]benzoic acid Traditional Name: 2-[[4-(p-tolyl)thiazol-2-yl]methylthio]benzoic acid Formula: C18H15NO2S2 MolecularWeight: 341.4472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H15NO2S2/c1-12-6-8-13(9-7-12)15-10-23-17(19-15)11-22-16-5-3-2-4-14(16)18(20)21/h2-10H,11H2,1H3,(H,20,21)