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

Systemtic Name: 2-[2-[5-bromanyl-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylethanoylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[[2-[5-bromo-1-(4-cyano-1-naphthyl)imidazol-2-yl]sulfanylacetyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[2-[[5-bromo-1-(4-cyano-1-naphthalenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[[2-[[5-bromo-1-(4-cyano-1-naphthyl)imidazol-2-yl]thio]acetyl]amino]-3-(methylthio)propionic acid Formula: C20H17BrN4O3S2 MolecularWeight: 505.40798

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)O)NC(=O)CSC1=NC=C(N1C2=CC=C(C3=CC=CC=C32)C#N)Br

Isomeric SMILES

CSCC(C(=O)O)NC(=O)CSC1=NC=C(N1C2=CC=C(C3=CC=CC=C32)C#N)Br

InChI

InChI=1S/C20H17BrN4O3S2/c1-29-10-15(19(27)28)24-18(26)11-30-20-23-9-17(21)25(20)16-7-6-12(8-22)13-4-2-3-5-14(13)16/h2-7,9,15H,10-11H2,1H3,(H,24,26)(H,27,28)