5-[4-(bromomethyl)-2-(triphenylmethyl)-3H-1,2,4-triazol-5-yl]-3-ethoxy-1,2-oxazole

Systemtic Name: 5-[4-(bromomethyl)-2-(triphenylmethyl)-3H-1,2,4-triazol-5-yl]-3-ethoxy-1,2-oxazole Openeye Name: 5-[4-(bromomethyl)-2-trityl-3H-1,2,4-triazol-5-yl]-3-ethoxy-isoxazole CAS Name: 5-[4-(bromomethyl)-2-(triphenylmethyl)-3H-1,2,4-triazol-5-yl]-3-ethoxyisoxazole IUPAC Name: 5-[4-(bromomethyl)-2-trityl-3H-1,2,4-triazol-5-yl]-3-ethoxy-1,2-oxazole Traditional Name: 5-[4-(bromomethyl)-2-trityl-3H-1,2,4-triazol-5-yl]-3-ethoxy-isoxazole Formula: C27H25BrN4O2 MolecularWeight: 517.417

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NOC(=C1)C2=NN(CN2CBr)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC1=NOC(=C1)C2=NN(CN2CBr)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H25BrN4O2/c1-2-33-25-18-24(34-30-25)26-29-32(20-31(26)19-28)27(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-18H,2,19-20H2,1H3