2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-1-(4-ethylphenyl)propan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

InChI

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