1,3-bis[(4-tert-butyl-3-fluoranyl-phenyl)sulfanylmethyl]-2H-benzimidazol-2-amine chloride

Systemtic Name: 1,3-bis[(4-tert-butyl-3-fluoranyl-phenyl)sulfanylmethyl]-2H-benzimidazol-2-amine chloride Openeye Name: 1,3-bis[(4-tert-butyl-3-fluoro-phenyl)sulfanylmethyl]-2H-benzimidazol-2-amine chloride CAS Name: 1,3-bis[[(4-tert-butyl-3-fluorophenyl)thio]methyl]-2H-benzimidazol-2-amine chloride IUPAC Name: 1,3-bis[(4-tert-butyl-3-fluorophenyl)sulfanylmethyl]-2H-benzimidazol-2-amine chloride Traditional Name: [1,3-bis[[(4-tert-butyl-3-fluoro-phenyl)thio]methyl]-2H-benzimidazol-2-yl]amine chloride Formula: C29H35ClF2N3S2- MolecularWeight: 563.188106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)SCN2C(N(C3=CC=CC=C32)CSC4=CC(=C(C=C4)C(C)(C)C)F)N)F.[Cl-]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)SCN2C(N(C3=CC=CC=C32)CSC4=CC(=C(C=C4)C(C)(C)C)F)N)F.[Cl-]

InChI

InChI=1S/C29H35F2N3S2.ClH/c1-28(2,3)21-13-11-19(15-23(21)30)35-17-33-25-9-7-8-10-26(25)34(27(33)32)18-36-20-12-14-22(24(31)16-20)29(4,5)6;/h7-16,27H,17-18,32H2,1-6H3;1H/p-1