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

Systemtic Name: 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[[4-(2-naphthyl)thiazol-2-yl]methylsulfanyl]benzoic acid CAS Name: 2-[[4-(2-naphthalenyl)-2-thiazolyl]methylthio]benzoic acid IUPAC Name: 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[[4-(2-naphthyl)thiazol-2-yl]methylthio]benzoic acid Formula: C21H15NO2S2 MolecularWeight: 377.4793

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C3=CSC(=N3)CSC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C3=CSC(=N3)CSC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C21H15NO2S2/c23-21(24)17-7-3-4-8-19(17)25-13-20-22-18(12-26-20)16-10-9-14-5-1-2-6-15(14)11-16/h1-12H,13H2,(H,23,24)