5-bromanyl-2-[(5-methylsulfanylpyrazin-2-yl)carbonylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[(5-methylsulfanylpyrazin-2-yl)carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[(5-methylsulfanylpyrazine-2-carbonyl)amino]benzoic acid CAS Name: 5-bromo-2-[[[5-(methylthio)-2-pyrazinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[(5-methylsulfanylpyrazine-2-carbonyl)amino]benzoic acid Traditional Name: 5-bromo-2-[[5-(methylthio)pyrazinoyl]amino]benzoic acid Formula: C13H10BrN3O3S MolecularWeight: 368.2058

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N=C1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CSC1=NC=C(N=C1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C13H10BrN3O3S/c1-21-11-6-15-10(5-16-11)12(18)17-9-3-2-7(14)4-8(9)13(19)20/h2-6H,1H3,(H,17,18)(H,19,20)