(2S)-2-(phenylmethylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: (2S)-2-(phenylmethylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: (2S)-2-benzylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: (2S)-2-(phenylmethylthio)-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: (2S)-2-benzylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: (2S)-2-(benzylthio)-N-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)SCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)[C@H](C)SCC2=CC=CC=C2

InChI

InChI=1S/C16H21N3OS/c1-11-15(12(2)19(4)18-11)17-16(20)13(3)21-10-14-8-6-5-7-9-14/h5-9,13H,10H2,1-4H3,(H,17,20)/t13-/m0/s1