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

Systemtic Name: 5-bromanyl-2-[[5-(phenylmethylsulfanyl)pyrazin-2-yl]carbonylamino]benzoic acid Openeye Name: 2-[(5-benzylsulfanylpyrazine-2-carbonyl)amino]-5-bromo-benzoic acid CAS Name: 5-bromo-2-[[oxo-[5-(phenylmethylthio)-2-pyrazinyl]methyl]amino]benzoic acid IUPAC Name: 2-[(5-benzylsulfanylpyrazine-2-carbonyl)amino]-5-bromobenzoic acid Traditional Name: 2-[[5-(benzylthio)pyrazinoyl]amino]-5-bromo-benzoic acid Formula: C19H14BrN3O3S MolecularWeight: 444.30176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=C(N=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C(N=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C19H14BrN3O3S/c20-13-6-7-15(14(8-13)19(25)26)23-18(24)16-9-22-17(10-21-16)27-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,23,24)(H,25,26)