5-[4-[(E)-3-bromanylprop-1-enyl]phenyl]-2-(2-phenoxyethylsulfanylmethyl)-1,3-oxazole

Systemtic Name: 5-[4-[(E)-3-bromanylprop-1-enyl]phenyl]-2-(2-phenoxyethylsulfanylmethyl)-1,3-oxazole Openeye Name: 5-[4-[(E)-3-bromoprop-1-enyl]phenyl]-2-(2-phenoxyethylsulfanylmethyl)oxazole CAS Name: 5-[4-[(E)-3-bromoprop-1-enyl]phenyl]-2-[(2-phenoxyethylthio)methyl]oxazole IUPAC Name: 5-[4-[(E)-3-bromoprop-1-enyl]phenyl]-2-(2-phenoxyethylsulfanylmethyl)-1,3-oxazole Traditional Name: 5-[4-[(E)-3-bromoprop-1-enyl]phenyl]-2-[(2-phenoxyethylthio)methyl]oxazole Formula: C21H20BrNO2S MolecularWeight: 430.358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCSCC2=NC=C(O2)C3=CC=C(C=C3)C=CCBr

Isomeric SMILES

C1=CC=C(C=C1)OCCSCC2=NC=C(O2)C3=CC=C(C=C3)/C=C/CBr

InChI

InChI=1S/C21H20BrNO2S/c22-12-4-5-17-8-10-18(11-9-17)20-15-23-21(25-20)16-26-14-13-24-19-6-2-1-3-7-19/h1-11,15H,12-14,16H2/b5-4+