2-[2-[5-bromanyl-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylethanoylamino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-[2-[5-bromanyl-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylethanoylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[[2-[5-bromo-1-(4-cyano-1-naphthyl)imidazol-2-yl]sulfanylacetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[2-[[5-bromo-1-(4-cyano-1-naphthalenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[[2-[[5-bromo-1-(4-cyano-1-naphthyl)imidazol-2-yl]thio]acetyl]amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C22H17BrN6O3S MolecularWeight: 525.37778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2N3C(=CN=C3SCC(=O)NC(CC4=CN=CN4)C(=O)O)Br)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2N3C(=CN=C3SCC(=O)NC(CC4=CN=CN4)C(=O)O)Br)C#N

InChI

InChI=1S/C22H17BrN6O3S/c23-19-10-26-22(29(19)18-6-5-13(8-24)15-3-1-2-4-16(15)18)33-11-20(30)28-17(21(31)32)7-14-9-25-12-27-14/h1-6,9-10,12,17H,7,11H2,(H,25,27)(H,28,30)(H,31,32)