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

Systemtic Name: 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-1-(4-cyclohexylphenyl)ethanone Openeye Name: 2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanyl-1-(4-cyclohexylphenyl)ethanone CAS Name: 2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]-1-(4-cyclohexylphenyl)ethanone IUPAC Name: 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-1-(4-cyclohexylphenyl)ethanone Traditional Name: 2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]-1-(4-cyclohexylphenyl)ethanone Formula: C28H27ClN2OS MolecularWeight: 475.04478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl

InChI

InChI=1S/C28H27ClN2OS/c29-24-15-16-26-25(17-24)30-28(31(26)18-20-7-3-1-4-8-20)33-19-27(32)23-13-11-22(12-14-23)21-9-5-2-6-10-21/h1,3-4,7-8,11-17,21H,2,5-6,9-10,18-19H2