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

Systemtic Name: 2-[2-[5-bromanyl-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylethanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[2-[5-bromo-1-(4-cyano-1-naphthyl)imidazol-2-yl]sulfanylacetyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[2-[[5-bromo-1-(4-cyano-1-naphthalenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[2-[[5-bromo-1-(4-cyano-1-naphthyl)imidazol-2-yl]thio]acetyl]amino]-3-hydroxy-propionic acid Formula: C19H15BrN4O4S MolecularWeight: 475.3158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrN4O4S/c20-16-8-22-19(29-10-17(26)23-14(9-25)18(27)28)24(16)15-6-5-11(7-21)12-3-1-2-4-13(12)15/h1-6,8,14,25H,9-10H2,(H,23,26)(H,27,28)