2-[3-(2-fluoranylpyridin-4-yl)sulfanylpropylcarbamoyl]benzoic acid

Systemtic Name: 2-[3-(2-fluoranylpyridin-4-yl)sulfanylpropylcarbamoyl]benzoic acid Openeye Name: 2-[3-[(2-fluoro-4-pyridyl)sulfanyl]propylcarbamoyl]benzoic acid CAS Name: 2-[[3-[(2-fluoro-4-pyridinyl)thio]propylamino]-oxomethyl]benzoic acid IUPAC Name: 2-[3-(2-fluoropyridin-4-yl)sulfanylpropylcarbamoyl]benzoic acid Traditional Name: 2-[3-[(2-fluoro-4-pyridyl)thio]propylcarbamoyl]benzoic acid Formula: C16H15FN2O3S MolecularWeight: 334.365303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCCSC2=CC(=NC=C2)F)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCCSC2=CC(=NC=C2)F)C(=O)O

InChI

InChI=1S/C16H15FN2O3S/c17-14-10-11(6-8-18-14)23-9-3-7-19-15(20)12-4-1-2-5-13(12)16(21)22/h1-2,4-6,8,10H,3,7,9H2,(H,19,20)(H,21,22)