5-phenyl-2-(phenylmethyl)-3-prop-2-enylsulfanyl-1,2-oxazol-2-ium bromide

Systemtic Name: 5-phenyl-2-(phenylmethyl)-3-prop-2-enylsulfanyl-1,2-oxazol-2-ium bromide Openeye Name: 3-allylsulfanyl-2-benzyl-5-phenyl-isoxazol-2-ium bromide CAS Name: 5-phenyl-2-(phenylmethyl)-3-(prop-2-enylthio)isoxazol-2-ium bromide IUPAC Name: 2-benzyl-5-phenyl-3-prop-2-enylsulfanyl-1,2-oxazol-2-ium bromide Traditional Name: 3-(allylthio)-2-benzyl-5-phenyl-isoxazol-2-ium bromide Formula: C19H18BrNOS MolecularWeight: 388.32132

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=[N+](OC(=C1)C2=CC=CC=C2)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

C=CCSC1=[N+](OC(=C1)C2=CC=CC=C2)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C19H18NOS.BrH/c1-2-13-22-19-14-18(17-11-7-4-8-12-17)21-20(19)15-16-9-5-3-6-10-16;/h2-12,14H,1,13,15H2;1H/q+1;/p-1