2-[5-(3,5-dimethylphenyl)sulfanyl-2-(3-oxidanylpropyl)-4-propan-2-yl-imidazol-1-yl]-1-phenyl-ethanone

Systemtic Name: 2-[5-(3,5-dimethylphenyl)sulfanyl-2-(3-oxidanylpropyl)-4-propan-2-yl-imidazol-1-yl]-1-phenyl-ethanone Openeye Name: 2-[5-(3,5-dimethylphenyl)sulfanyl-2-(3-hydroxypropyl)-4-isopropyl-imidazol-1-yl]-1-phenyl-ethanone CAS Name: 2-[5-[(3,5-dimethylphenyl)thio]-2-(3-hydroxypropyl)-4-propan-2-yl-1-imidazolyl]-1-phenylethanone IUPAC Name: 2-[5-(3,5-dimethylphenyl)sulfanyl-2-(3-hydroxypropyl)-4-propan-2-ylimidazol-1-yl]-1-phenylethanone Traditional Name: 2-[5-[(3,5-dimethylphenyl)thio]-2-(3-hydroxypropyl)-4-isopropyl-imidazol-1-yl]-1-phenyl-ethanone Formula: C25H30N2O2S MolecularWeight: 422.5829

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC2=C(N=C(N2CC(=O)C3=CC=CC=C3)CCCO)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)SC2=C(N=C(N2CC(=O)C3=CC=CC=C3)CCCO)C(C)C)C

InChI

InChI=1S/C25H30N2O2S/c1-17(2)24-25(30-21-14-18(3)13-19(4)15-21)27(23(26-24)11-8-12-28)16-22(29)20-9-6-5-7-10-20/h5-7,9-10,13-15,17,28H,8,11-12,16H2,1-4H3