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

Systemtic Name: N-[2-[(2S)-butan-2-yl]phenyl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide Openeye Name: N-[2-[(1S)-1-methylpropyl]phenyl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide CAS Name: N-[2-[(2S)-butan-2-yl]phenyl]-2-[[4-(1-pyrazolyl)phenyl]methylthio]acetamide IUPAC Name: N-[2-[(2S)-butan-2-yl]phenyl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide Traditional Name: N-[2-[(1S)-1-methylpropyl]phenyl]-2-[(4-pyrazol-1-ylbenzyl)thio]acetamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)CSCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)CSCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C22H25N3OS/c1-3-17(2)20-7-4-5-8-21(20)24-22(26)16-27-15-18-9-11-19(12-10-18)25-14-6-13-23-25/h4-14,17H,3,15-16H2,1-2H3,(H,24,26)/t17-/m0/s1