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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)SC2=NC=CN2C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C)SC2=NC=CN2C

InChI

InChI=1S/C15H19N3OS/c1-10-5-6-11(2)13(9-10)17-14(19)12(3)20-15-16-7-8-18(15)4/h5-9,12H,1-4H3,(H,17,19)/t12-/m0/s1