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

Systemtic Name: 5-bromanyl-2-[(5-butylsulfanylpyrazin-2-yl)carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[(5-butylsulfanylpyrazine-2-carbonyl)amino]benzoic acid CAS Name: 5-bromo-2-[[[5-(butylthio)-2-pyrazinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[(5-butylsulfanylpyrazine-2-carbonyl)amino]benzoic acid Traditional Name: 5-bromo-2-[[5-(butylthio)pyrazinoyl]amino]benzoic acid Formula: C16H16BrN3O3S MolecularWeight: 410.28554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC=C(N=C1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CCCCSC1=NC=C(N=C1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C16H16BrN3O3S/c1-2-3-6-24-14-9-18-13(8-19-14)15(21)20-12-5-4-10(17)7-11(12)16(22)23/h4-5,7-9H,2-3,6H2,1H3,(H,20,21)(H,22,23)