N-[3-(2-phenylsulfanylpropanoylamino)phenyl]-2-pyrazol-1-yl-propanamide

Systemtic Name: N-[3-(2-phenylsulfanylpropanoylamino)phenyl]-2-pyrazol-1-yl-propanamide Openeye Name: N-[3-(2-phenylsulfanylpropanoylamino)phenyl]-2-pyrazol-1-yl-propanamide CAS Name: N-[3-[[1-oxo-2-(phenylthio)propyl]amino]phenyl]-2-(1-pyrazolyl)propanamide IUPAC Name: N-[3-(2-phenylsulfanylpropanoylamino)phenyl]-2-pyrazol-1-ylpropanamide Traditional Name: N-[3-[2-(phenylthio)propanoylamino]phenyl]-2-pyrazol-1-yl-propionamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)NC(=O)C(C)SC2=CC=CC=C2)N3C=CC=N3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)NC(=O)C(C)SC2=CC=CC=C2)N3C=CC=N3

InChI

InChI=1S/C21H22N4O2S/c1-15(25-13-7-12-22-25)20(26)23-17-8-6-9-18(14-17)24-21(27)16(2)28-19-10-4-3-5-11-19/h3-16H,1-2H3,(H,23,26)(H,24,27)