N,N-diethyl-4-[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanoylamino]benzamide

Systemtic Name: N,N-diethyl-4-[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanoylamino]benzamide Openeye Name: N,N-diethyl-4-[[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetyl]amino]benzamide CAS Name: N,N-diethyl-4-[[1-oxo-2-[[4-(1-pyrazolyl)phenyl]methylthio]ethyl]amino]benzamide IUPAC Name: N,N-diethyl-4-[[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetyl]amino]benzamide Traditional Name: N,N-diethyl-4-[[2-[(4-pyrazol-1-ylbenzyl)thio]acetyl]amino]benzamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2S/c1-3-26(4-2)23(29)19-8-10-20(11-9-19)25-22(28)17-30-16-18-6-12-21(13-7-18)27-15-5-14-24-27/h5-15H,3-4,16-17H2,1-2H3,(H,25,28)