N-[3-[2-(4-chlorophenyl)sulfanylpropanoylamino]phenyl]-2-pyrazol-1-yl-propanamide

Systemtic Name: N-[3-[2-(4-chlorophenyl)sulfanylpropanoylamino]phenyl]-2-pyrazol-1-yl-propanamide Openeye Name: N-[3-[2-(4-chlorophenyl)sulfanylpropanoylamino]phenyl]-2-pyrazol-1-yl-propanamide CAS Name: N-[3-[[2-[(4-chlorophenyl)thio]-1-oxopropyl]amino]phenyl]-2-(1-pyrazolyl)propanamide IUPAC Name: N-[3-[2-(4-chlorophenyl)sulfanylpropanoylamino]phenyl]-2-pyrazol-1-ylpropanamide Traditional Name: N-[3-[2-[(4-chlorophenyl)thio]propanoylamino]phenyl]-2-pyrazol-1-yl-propionamide Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O2S/c1-14(26-12-4-11-23-26)20(27)24-17-5-3-6-18(13-17)25-21(28)15(2)29-19-9-7-16(22)8-10-19/h3-15H,1-2H3,(H,24,27)(H,25,28)