1-[4-[2-oxidanyl-3-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-propoxy]phenyl]propan-1-one

Systemtic Name: 1-[4-[2-oxidanyl-3-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[3-(1-benzylimidazol-2-yl)sulfanyl-2-hydroxy-propoxy]phenyl]propan-1-one CAS Name: 1-[4-[2-hydroxy-3-[[1-(phenylmethyl)-2-imidazolyl]thio]propoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[3-(1-benzylimidazol-2-yl)sulfanyl-2-hydroxypropoxy]phenyl]propan-1-one Traditional Name: 1-[4-[3-[(1-benzylimidazol-2-yl)thio]-2-hydroxy-propoxy]phenyl]propan-1-one Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(CSC2=NC=CN2CC3=CC=CC=C3)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(CSC2=NC=CN2CC3=CC=CC=C3)O

InChI

InChI=1S/C22H24N2O3S/c1-2-21(26)18-8-10-20(11-9-18)27-15-19(25)16-28-22-23-12-13-24(22)14-17-6-4-3-5-7-17/h3-13,19,25H,2,14-16H2,1H3