(2S)-2-(5-azanylpyridin-2-yl)sulfanyl-N-(2-ethyl-6-methyl-phenyl)propanamide

Systemtic Name: (2S)-2-(5-azanylpyridin-2-yl)sulfanyl-N-(2-ethyl-6-methyl-phenyl)propanamide Openeye Name: (2S)-2-[(5-amino-2-pyridyl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)propanamide CAS Name: (2S)-2-[(5-amino-2-pyridinyl)thio]-N-(2-ethyl-6-methylphenyl)propanamide IUPAC Name: (2S)-2-(5-aminopyridin-2-yl)sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide Traditional Name: (2S)-2-[(5-amino-2-pyridyl)thio]-N-(2-ethyl-6-methyl-phenyl)propionamide Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)SC2=NC=C(C=C2)N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)[C@H](C)SC2=NC=C(C=C2)N)C

InChI

InChI=1S/C17H21N3OS/c1-4-13-7-5-6-11(2)16(13)20-17(21)12(3)22-15-9-8-14(18)10-19-15/h5-10,12H,4,18H2,1-3H3,(H,20,21)/t12-/m0/s1