3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-N-(2-phenylsulfanylphenyl)propanamide

Systemtic Name: 3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-N-(2-phenylsulfanylphenyl)propanamide Openeye Name: 3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-2-methyl-N-(2-phenylsulfanylphenyl)propanamide CAS Name: 3-(4-chloro-3,5-dimethyl-1-pyrazolyl)-2-methyl-N-[2-(phenylthio)phenyl]propanamide IUPAC Name: 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(2-phenylsulfanylphenyl)propanamide Traditional Name: 3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-2-methyl-N-[2-(phenylthio)phenyl]propionamide Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C)Cl

Isomeric SMILES

CC1=C(C(=NN1CC(C)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C)Cl

InChI

InChI=1S/C21H22ClN3OS/c1-14(13-25-16(3)20(22)15(2)24-25)21(26)23-18-11-7-8-12-19(18)27-17-9-5-4-6-10-17/h4-12,14H,13H2,1-3H3,(H,23,26)