2-[2-[5-bromanyl-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylethanoylamino]pentanedioic acid

Systemtic Name: 2-[2-[5-bromanyl-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylethanoylamino]pentanedioic acid Openeye Name: 2-[[2-[5-bromo-1-(4-cyano-1-naphthyl)imidazol-2-yl]sulfanylacetyl]amino]pentanedioic acid CAS Name: 2-[[2-[[5-bromo-1-(4-cyano-1-naphthalenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]pentanedioic acid Traditional Name: 2-[[2-[[5-bromo-1-(4-cyano-1-naphthyl)imidazol-2-yl]thio]acetyl]amino]glutaric acid Formula: C21H17BrN4O5S MolecularWeight: 517.35248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2N3C(=CN=C3SCC(=O)NC(CCC(=O)O)C(=O)O)Br)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2N3C(=CN=C3SCC(=O)NC(CCC(=O)O)C(=O)O)Br)C#N

InChI

InChI=1S/C21H17BrN4O5S/c22-17-10-24-21(32-11-18(27)25-15(20(30)31)6-8-19(28)29)26(17)16-7-5-12(9-23)13-3-1-2-4-14(13)16/h1-5,7,10,15H,6,8,11H2,(H,25,27)(H,28,29)(H,30,31)