2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: 2-[[2-(2-pyridyl)thiazol-4-yl]methylsulfanyl]benzoate CAS Name: 2-[[2-(2-pyridinyl)-4-thiazolyl]methylthio]benzoate IUPAC Name: 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[[2-(2-pyridyl)thiazol-4-yl]methylthio]benzoate Formula: C16H11N2O2S2- MolecularWeight: 327.40074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])SCC2=CSC(=N2)C3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])SCC2=CSC(=N2)C3=CC=CC=N3

InChI

InChI=1S/C16H12N2O2S2/c19-16(20)12-5-1-2-7-14(12)21-9-11-10-22-15(18-11)13-6-3-4-8-17-13/h1-8,10H,9H2,(H,19,20)/p-1