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

Systemtic Name: 2-[2-[5-bromanyl-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylethanoylamino]butanedioic acid Openeye Name: 2-[[2-[5-bromo-1-(4-cyano-1-naphthyl)imidazol-2-yl]sulfanylacetyl]amino]butanedioic acid CAS Name: 2-[[2-[[5-bromo-1-(4-cyano-1-naphthalenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]butanedioic acid IUPAC Name: 2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]butanedioic acid Traditional Name: 2-[[2-[[5-bromo-1-(4-cyano-1-naphthyl)imidazol-2-yl]thio]acetyl]amino]succinic acid Formula: C20H15BrN4O5S MolecularWeight: 503.3259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrN4O5S/c21-16-9-23-20(31-10-17(26)24-14(19(29)30)7-18(27)28)25(16)15-6-5-11(8-22)12-3-1-2-4-13(12)15/h1-6,9,14H,7,10H2,(H,24,26)(H,27,28)(H,29,30)