1,3-bis(phenylmethyl)-2-phenylsulfanyl-imidazol-1-ium bromide

Systemtic Name: 1,3-bis(phenylmethyl)-2-phenylsulfanyl-imidazol-1-ium bromide Openeye Name: 1,3-dibenzyl-2-phenylsulfanyl-imidazol-1-ium bromide CAS Name: 1,3-bis(phenylmethyl)-2-(phenylthio)imidazol-1-ium bromide IUPAC Name: 1,3-dibenzyl-2-phenylsulfanylimidazol-1-ium bromide Traditional Name: 1,3-dibenzyl-2-(phenylthio)imidazol-1-ium bromide Formula: C23H21BrN2S MolecularWeight: 437.39524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C[N+](=C2SC3=CC=CC=C3)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C[N+](=C2SC3=CC=CC=C3)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C23H21N2S.BrH/c1-4-10-20(11-5-1)18-24-16-17-25(19-21-12-6-2-7-13-21)23(24)26-22-14-8-3-9-15-22;/h1-17H,18-19H2;1H/q+1;/p-1