(2S)-2-(4-tert-butylphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: (2S)-2-(4-tert-butylphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: (2S)-2-(4-tert-butylphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: (2S)-2-[(4-tert-butylphenyl)thio]-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: (2S)-2-(4-tert-butylphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: (2S)-2-[(4-tert-butylphenyl)thio]-N-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C19H27N3OS MolecularWeight: 345.50218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)SC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)[C@H](C)SC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C19H27N3OS/c1-12-17(13(2)22(7)21-12)20-18(23)14(3)24-16-10-8-15(9-11-16)19(4,5)6/h8-11,14H,1-7H3,(H,20,23)/t14-/m0/s1