2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-1-(4-ethylphenyl)propan-1-one

Systemtic Name: 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-1-(4-ethylphenyl)propan-1-one Openeye Name: 2-[4,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)imidazol-2-yl]sulfanyl-1-(4-ethylphenyl)propan-1-one CAS Name: 2-[[4,5-dimethyl-1-(2-oxolanylmethyl)-2-imidazolyl]thio]-1-(4-ethylphenyl)-1-propanone IUPAC Name: 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-1-(4-ethylphenyl)propan-1-one Traditional Name: 2-[[4,5-dimethyl-1-(tetrahydrofurfuryl)imidazol-2-yl]thio]-1-(4-ethylphenyl)propan-1-one Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NC(=C(N2CC3CCCO3)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NC(=C(N2CC3CCCO3)C)C

InChI

InChI=1S/C21H28N2O2S/c1-5-17-8-10-18(11-9-17)20(24)16(4)26-21-22-14(2)15(3)23(21)13-19-7-6-12-25-19/h8-11,16,19H,5-7,12-13H2,1-4H3