3-[(2-bromophenyl)methylsulfanyl]-5-(4-chlorophenyl)-2-(phenylmethyl)-1,2-oxazol-2-ium

Systemtic Name: 3-[(2-bromophenyl)methylsulfanyl]-5-(4-chlorophenyl)-2-(phenylmethyl)-1,2-oxazol-2-ium Openeye Name: 2-benzyl-3-[(2-bromophenyl)methylsulfanyl]-5-(4-chlorophenyl)isoxazol-2-ium CAS Name: 3-[(2-bromophenyl)methylthio]-5-(4-chlorophenyl)-2-(phenylmethyl)isoxazol-2-ium IUPAC Name: 2-benzyl-3-[(2-bromophenyl)methylsulfanyl]-5-(4-chlorophenyl)-1,2-oxazol-2-ium Traditional Name: 2-benzyl-3-[(2-bromobenzyl)thio]-5-(4-chlorophenyl)isoxazol-2-ium Formula: C23H18BrClNOS+ MolecularWeight: 471.81712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(C=C(O2)C3=CC=C(C=C3)Cl)SCC4=CC=CC=C4Br

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(C=C(O2)C3=CC=C(C=C3)Cl)SCC4=CC=CC=C4Br

InChI

InChI=1S/C23H18BrClNOS/c24-21-9-5-4-8-19(21)16-28-23-14-22(18-10-12-20(25)13-11-18)27-26(23)15-17-6-2-1-3-7-17/h1-14H,15-16H2/q+1