N-(3-ethanoylphenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(3-ethanoylphenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide Openeye Name: N-(3-acetylphenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide CAS Name: N-(3-acetylphenyl)-2-[[4-(1-pyrazolyl)phenyl]methylthio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[(4-pyrazol-1-ylbenzyl)thio]acetamide Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O2S/c1-15(24)17-4-2-5-18(12-17)22-20(25)14-26-13-16-6-8-19(9-7-16)23-11-3-10-21-23/h2-12H,13-14H2,1H3,(H,22,25)