N-(2,5-dimethylphenyl)-3-(1-methylimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2,5-dimethylphenyl)-3-(1-methylimidazol-2-yl)sulfanyl-propanamide Openeye Name: N-(2,5-dimethylphenyl)-3-(1-methylimidazol-2-yl)sulfanyl-propanamide CAS Name: N-(2,5-dimethylphenyl)-3-[(1-methyl-2-imidazolyl)thio]propanamide IUPAC Name: N-(2,5-dimethylphenyl)-3-(1-methylimidazol-2-yl)sulfanylpropanamide Traditional Name: N-(2,5-dimethylphenyl)-3-[(1-methylimidazol-2-yl)thio]propionamide Formula: C15H19N3OS MolecularWeight: 289.39586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CCSC2=NC=CN2C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCSC2=NC=CN2C

InChI

InChI=1S/C15H19N3OS/c1-11-4-5-12(2)13(10-11)17-14(19)6-9-20-15-16-7-8-18(15)3/h4-5,7-8,10H,6,9H2,1-3H3,(H,17,19)