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

Systemtic Name: 5-bromanyl-2-[(5-hexylsulfanylpyrazin-2-yl)carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[(5-hexylsulfanylpyrazine-2-carbonyl)amino]benzoic acid CAS Name: 5-bromo-2-[[[5-(hexylthio)-2-pyrazinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[(5-hexylsulfanylpyrazine-2-carbonyl)amino]benzoic acid Traditional Name: 5-bromo-2-[[5-(hexylthio)pyrazinoyl]amino]benzoic acid Formula: C18H20BrN3O3S MolecularWeight: 438.3387

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC=C(N=C1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CCCCCCSC1=NC=C(N=C1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C18H20BrN3O3S/c1-2-3-4-5-8-26-16-11-20-15(10-21-16)17(23)22-14-7-6-12(19)9-13(14)18(24)25/h6-7,9-11H,2-5,8H2,1H3,(H,22,23)(H,24,25)