N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide Openeye Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide CAS Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[[4-(1-pyrazolyl)phenyl]methylthio]acetamide IUPAC Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide Traditional Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[(4-pyrazol-1-ylbenzyl)thio]acetamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)CSCC2=CC=C(C=C2)N3C=CC=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C)NC(=O)CSCC2=CC=C(C=C2)N3C=CC=N3)C

InChI

InChI=1S/C22H25N3OS/c1-16-5-8-20(13-17(16)2)18(3)24-22(26)15-27-14-19-6-9-21(10-7-19)25-12-4-11-23-25/h4-13,18H,14-15H2,1-3H3,(H,24,26)/t18-/m0/s1