2-(4-fluorophenyl)-4-[(E)-3-imidazol-1-ylprop-1-enyl]-N-(4-methylsulfanyl-1-oxidanyl-butan-2-yl)benzamide

Systemtic Name: 2-(4-fluorophenyl)-4-[(E)-3-imidazol-1-ylprop-1-enyl]-N-(4-methylsulfanyl-1-oxidanyl-butan-2-yl)benzamide Openeye Name: 2-(4-fluorophenyl)-N-[1-(hydroxymethyl)-3-methylsulfanyl-propyl]-4-[(E)-3-imidazol-1-ylprop-1-enyl]benzamide CAS Name: 2-(4-fluorophenyl)-N-[1-hydroxy-4-(methylthio)butan-2-yl]-4-[(E)-3-(1-imidazolyl)prop-1-enyl]benzamide IUPAC Name: 2-(4-fluorophenyl)-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-4-[(E)-3-imidazol-1-ylprop-1-enyl]benzamide Traditional Name: 2-(4-fluorophenyl)-4-[(E)-3-imidazol-1-ylprop-1-enyl]-N-[1-methylol-3-(methylthio)propyl]benzamide Formula: C24H26FN3O2S MolecularWeight: 439.545543

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CO)NC(=O)C1=C(C=C(C=C1)C=CCN2C=CN=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CSCCC(CO)NC(=O)C1=C(C=C(C=C1)/C=C/CN2C=CN=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H26FN3O2S/c1-31-14-10-21(16-29)27-24(30)22-9-4-18(3-2-12-28-13-11-26-17-28)15-23(22)19-5-7-20(25)8-6-19/h2-9,11,13,15,17,21,29H,10,12,14,16H2,1H3,(H,27,30)/b3-2+