N-[(2S)-3-methylbutan-2-yl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[(2S)-3-methylbutan-2-yl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide Openeye Name: N-[(1S)-1,2-dimethylpropyl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide CAS Name: N-[(2S)-3-methylbutan-2-yl]-2-[[4-(1-pyrazolyl)phenyl]methylthio]acetamide IUPAC Name: N-[(2S)-3-methylbutan-2-yl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide Traditional Name: N-[(1S)-1,2-dimethylpropyl]-2-[(4-pyrazol-1-ylbenzyl)thio]acetamide Formula: C17H23N3OS MolecularWeight: 317.44902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3OS/c1-13(2)14(3)19-17(21)12-22-11-15-5-7-16(8-6-15)20-10-4-9-18-20/h4-10,13-14H,11-12H2,1-3H3,(H,19,21)/t14-/m0/s1