1,3-bis[(4-chlorophenyl)methyl]-N-phenyl-benzimidazol-3-ium-2-carboximidothioate

Systemtic Name: 1,3-bis[(4-chlorophenyl)methyl]-N-phenyl-benzimidazol-3-ium-2-carboximidothioate Openeye Name: 1,3-bis[(4-chlorophenyl)methyl]-N-phenyl-benzimidazol-3-ium-2-carboximidothioate CAS Name: 1,3-bis[(4-chlorophenyl)methyl]-N-phenyl-2-benzimidazol-3-iumcarboximidothioate IUPAC Name: 1,3-bis[(4-chlorophenyl)methyl]-N-phenylbenzimidazol-3-ium-2-carboximidothioate Traditional Name: 1,3-bis(4-chlorobenzyl)-N-phenyl-benzimidazol-3-ium-2-carboximidothioate Formula: C28H21Cl2N3S MolecularWeight: 502.45744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=C(C2=[N+](C3=CC=CC=C3N2CC4=CC=C(C=C4)Cl)CC5=CC=C(C=C5)Cl)[S-]

Isomeric SMILES

C1=CC=C(C=C1)N=C(C2=[N+](C3=CC=CC=C3N2CC4=CC=C(C=C4)Cl)CC5=CC=C(C=C5)Cl)[S-]

InChI

InChI=1S/C28H21Cl2N3S/c29-22-14-10-20(11-15-22)18-32-25-8-4-5-9-26(25)33(19-21-12-16-23(30)17-13-21)28(32)27(34)31-24-6-2-1-3-7-24/h1-17H,18-19H2