3-(3,4-dimethylphenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide CAS Name: 3-[(3,4-dimethylphenyl)thio]-N-[(2-fluorophenyl)-(1-methyl-2-imidazolyl)methyl]propanamide IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide Traditional Name: 3-[(3,4-dimethylphenyl)thio]-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propionamide Formula: C22H24FN3OS MolecularWeight: 397.508863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC(C2=CC=CC=C2F)C3=NC=CN3C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC(C2=CC=CC=C2F)C3=NC=CN3C)C

InChI

InChI=1S/C22H24FN3OS/c1-15-8-9-17(14-16(15)2)28-13-10-20(27)25-21(22-24-11-12-26(22)3)18-6-4-5-7-19(18)23/h4-9,11-12,14,21H,10,13H2,1-3H3,(H,25,27)