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

Systemtic Name: 2-[5-bromanyl-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[5-bromo-1-(4-cyano-1-naphthyl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[5-bromo-1-(4-cyano-1-naphthalenyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[5-bromo-1-(4-cyano-1-naphthyl)imidazol-2-yl]thio]acetic acid Formula: C16H10BrN3O2S MolecularWeight: 388.2385

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10BrN3O2S/c17-14-8-19-16(23-9-15(21)22)20(14)13-6-5-10(7-18)11-3-1-2-4-12(11)13/h1-6,8H,9H2,(H,21,22)