(1-bromanylnaphthalen-2-yl) 2-(1,4-diphenylimidazol-2-yl)sulfanylethanoate

Systemtic Name: (1-bromanylnaphthalen-2-yl) 2-(1,4-diphenylimidazol-2-yl)sulfanylethanoate Openeye Name: (1-bromo-2-naphthyl) 2-(1,4-diphenylimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1,4-diphenyl-2-imidazolyl)thio]acetic acid (1-bromo-2-naphthalenyl) ester IUPAC Name: (1-bromonaphthalen-2-yl) 2-(1,4-diphenylimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1,4-diphenylimidazol-2-yl)thio]acetic acid (1-bromo-2-naphthyl) ester Formula: C27H19BrN2O2S MolecularWeight: 515.42096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C(=N2)SCC(=O)OC3=C(C4=CC=CC=C4C=C3)Br)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C(=N2)SCC(=O)OC3=C(C4=CC=CC=C4C=C3)Br)C5=CC=CC=C5

InChI

InChI=1S/C27H19BrN2O2S/c28-26-22-14-8-7-9-19(22)15-16-24(26)32-25(31)18-33-27-29-23(20-10-3-1-4-11-20)17-30(27)21-12-5-2-6-13-21/h1-17H,18H2