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

Systemtic Name: 1-[4-[3-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-[3-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[3-[[1-(4-bromophenyl)-2-imidazolyl]thio]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[3-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-2-hydroxypropoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[3-[[1-(4-bromophenyl)imidazol-2-yl]thio]-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone Formula: C21H21BrN2O4S MolecularWeight: 477.37144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(CSC2=NC=CN2C3=CC=C(C=C3)Br)O)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCC(CSC2=NC=CN2C3=CC=C(C=C3)Br)O)OC

InChI

InChI=1S/C21H21BrN2O4S/c1-14(25)15-3-8-19(20(11-15)27-2)28-12-18(26)13-29-21-23-9-10-24(21)17-6-4-16(22)5-7-17/h3-11,18,26H,12-13H2,1-2H3