2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-1-(2,4,5-trimethylphenyl)ethanone

Systemtic Name: 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-1-(2,4,5-trimethylphenyl)ethanone Openeye Name: 2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanone CAS Name: 2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]-1-(2,4,5-trimethylphenyl)ethanone IUPAC Name: 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanone Traditional Name: 2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]-1-(2,4,5-trimethylphenyl)ethanone Formula: C25H23ClN2OS MolecularWeight: 434.98092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl)C)C

InChI

InChI=1S/C25H23ClN2OS/c1-16-11-18(3)21(12-17(16)2)24(29)15-30-25-27-22-13-20(26)9-10-23(22)28(25)14-19-7-5-4-6-8-19/h4-13H,14-15H2,1-3H3