4-[2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-[(5-bromo-2-pyridyl)amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-[(5-bromopyridin-2-yl)amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-[(5-bromo-2-pyridyl)amino]-2-keto-ethyl]thio]benzoic acid Formula: C14H11BrN2O3S MolecularWeight: 367.21774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SCC(=O)NC2=NC=C(C=C2)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SCC(=O)NC2=NC=C(C=C2)Br

InChI

InChI=1S/C14H11BrN2O3S/c15-10-3-6-12(16-7-10)17-13(18)8-21-11-4-1-9(2-5-11)14(19)20/h1-7H,8H2,(H,19,20)(H,16,17,18)