2-[(5-bromanylthiophen-2-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: 2-[(5-bromanylthiophen-2-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: 2-[(5-bromo-2-thienyl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-bromo-2-thiophenyl)methylthio]-3-pyridinecarboxylate IUPAC Name: 2-[(5-bromothiophen-2-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-bromo-2-thienyl)methylthio]nicotinate Formula: C11H7BrNO2S2- MolecularWeight: 329.21278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CC=C(S2)Br)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC=C(S2)Br)C(=O)[O-]

InChI

InChI=1S/C11H8BrNO2S2/c12-9-4-3-7(17-9)6-16-10-8(11(14)15)2-1-5-13-10/h1-5H,6H2,(H,14,15)/p-1