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

Systemtic Name: 2-[2-[5-bromanyl-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylethanoylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[2-[5-bromo-1-(4-cyano-1-naphthyl)imidazol-2-yl]sulfanylacetyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[2-[[5-bromo-1-(4-cyano-1-naphthalenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[2-[[5-bromo-1-(4-cyano-1-naphthyl)imidazol-2-yl]thio]acetyl]amino]-3-mercapto-propionic acid Formula: C19H15BrN4O3S2 MolecularWeight: 491.3814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrN4O3S2/c20-16-8-22-19(29-10-17(25)23-14(9-28)18(26)27)24(16)15-6-5-11(7-21)12-3-1-2-4-13(12)15/h1-6,8,14,28H,9-10H2,(H,23,25)(H,26,27)