N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-3-methylsulfanyl-propanamide

Systemtic Name: N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-3-methylsulfanyl-propanamide Openeye Name: N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-3-methylsulfanyl-propanamide CAS Name: N-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl]-N-methyl-3-(methylthio)propanamide IUPAC Name: N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-3-methylsulfanylpropanamide Traditional Name: N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-3-(methylthio)propionamide Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)CCSC

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)CCSC

InChI

InChI=1S/C21H22ClN3OS/c1-24(20(26)12-13-27-2)14-17-15-25(19-6-4-3-5-7-19)23-21(17)16-8-10-18(22)11-9-16/h3-11,15H,12-14H2,1-2H3