(2S)-1-(2,5-dimethylphenyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-propan-1-one

Systemtic Name: (2S)-1-(2,5-dimethylphenyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-propan-1-one Openeye Name: (2S)-1-(2,5-dimethylphenyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-propan-1-one CAS Name: (2S)-1-(2,5-dimethylphenyl)-2-[[1-(4-methoxyphenyl)-2-benzimidazolyl]thio]-1-propanone IUPAC Name: (2S)-1-(2,5-dimethylphenyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropan-1-one Traditional Name: (2S)-1-(2,5-dimethylphenyl)-2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]thio]propan-1-one Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)SC2=NC3=CC=CC=C3N2C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)[C@H](C)SC2=NC3=CC=CC=C3N2C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H24N2O2S/c1-16-9-10-17(2)21(15-16)24(28)18(3)30-25-26-22-7-5-6-8-23(22)27(25)19-11-13-20(29-4)14-12-19/h5-15,18H,1-4H3/t18-/m0/s1