N-[(2R)-butan-2-yl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[(2R)-butan-2-yl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide Openeye Name: N-[(1R)-1-methylpropyl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide CAS Name: N-[(2R)-butan-2-yl]-2-[[4-(1-pyrazolyl)phenyl]methylthio]acetamide IUPAC Name: N-[(2R)-butan-2-yl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide Traditional Name: N-[(1R)-1-methylpropyl]-2-[(4-pyrazol-1-ylbenzyl)thio]acetamide Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSCC1=CC=C(C=C1)N2C=CC=N2

Isomeric SMILES

CC[C@@H](C)NC(=O)CSCC1=CC=C(C=C1)N2C=CC=N2

InChI

InChI=1S/C16H21N3OS/c1-3-13(2)18-16(20)12-21-11-14-5-7-15(8-6-14)19-10-4-9-17-19/h4-10,13H,3,11-12H2,1-2H3,(H,18,20)/t13-/m1/s1