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

Systemtic Name: 1-[3-methoxy-4-[2-oxidanyl-3-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[3-(1-benzylimidazol-2-yl)sulfanyl-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[2-hydroxy-3-[[1-(phenylmethyl)-2-imidazolyl]thio]propoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[3-(1-benzylimidazol-2-yl)sulfanyl-2-hydroxypropoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[3-[(1-benzylimidazol-2-yl)thio]-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-16(25)18-8-9-20(21(12-18)27-2)28-14-19(26)15-29-22-23-10-11-24(22)13-17-6-4-3-5-7-17/h3-12,19,26H,13-15H2,1-2H3