N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-ethanamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-acetamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]acetamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetamide Traditional Name: N-(2-chlorobenzyl)-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]acetamide Formula: C20H20ClN3OS MolecularWeight: 385.9103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)NCC3=CC=CC=C3Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C20H20ClN3OS/c1-14-20(15(2)24(23-14)17-9-4-3-5-10-17)26-13-19(25)22-12-16-8-6-7-11-18(16)21/h3-11H,12-13H2,1-2H3,(H,22,25)