3-[(2-azanyl-5-bromanyl-phenyl)-pyridin-2-yl-methyl]sulfanylpropanoic acid

Systemtic Name: 3-[(2-azanyl-5-bromanyl-phenyl)-pyridin-2-yl-methyl]sulfanylpropanoic acid Openeye Name: 3-[(2-amino-5-bromo-phenyl)-(2-pyridyl)methyl]sulfanylpropanoic acid CAS Name: 3-[[(2-amino-5-bromophenyl)-(2-pyridinyl)methyl]thio]propanoic acid IUPAC Name: 3-[(2-amino-5-bromophenyl)-pyridin-2-ylmethyl]sulfanylpropanoic acid Traditional Name: 3-[[(2-amino-5-bromo-phenyl)-(2-pyridyl)methyl]thio]propionic acid Formula: C15H15BrN2O2S MolecularWeight: 367.2608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(C2=C(C=CC(=C2)Br)N)SCCC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)C(C2=C(C=CC(=C2)Br)N)SCCC(=O)O

InChI

InChI=1S/C15H15BrN2O2S/c16-10-4-5-12(17)11(9-10)15(21-8-6-14(19)20)13-3-1-2-7-18-13/h1-5,7,9,15H,6,8,17H2,(H,19,20)