1,3-bis[(2,4-dichlorophenyl)sulfanylmethyl]-5-phenyl-2H-benzimidazol-2-amine bromide

Systemtic Name: 1,3-bis[(2,4-dichlorophenyl)sulfanylmethyl]-5-phenyl-2H-benzimidazol-2-amine bromide Openeye Name: 1,3-bis[(2,4-dichlorophenyl)sulfanylmethyl]-5-phenyl-2H-benzimidazol-2-amine bromide CAS Name: 1,3-bis[[(2,4-dichlorophenyl)thio]methyl]-5-phenyl-2H-benzimidazol-2-amine bromide IUPAC Name: 1,3-bis[(2,4-dichlorophenyl)sulfanylmethyl]-5-phenyl-2H-benzimidazol-2-amine bromide Traditional Name: [1,3-bis[[(2,4-dichlorophenyl)thio]methyl]-5-phenyl-2H-benzimidazol-2-yl]amine bromide Formula: C27H21BrCl4N3S2- MolecularWeight: 673.32174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C(N3CSC4=C(C=C(C=C4)Cl)Cl)N)CSC5=C(C=C(C=C5)Cl)Cl.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C(N3CSC4=C(C=C(C=C4)Cl)Cl)N)CSC5=C(C=C(C=C5)Cl)Cl.[Br-]

InChI

InChI=1S/C27H21Cl4N3S2.BrH/c28-19-7-10-25(21(30)13-19)35-15-33-23-9-6-18(17-4-2-1-3-5-17)12-24(23)34(27(33)32)16-36-26-11-8-20(29)14-22(26)31;/h1-14,27H,15-16,32H2;1H/p-1