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

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-N-(3-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-N-(3-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]-N-(3-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]-N-(3-fluoro-4-methyl-phenyl)acetamide Formula: C20H20FN3OS MolecularWeight: 369.455703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=C(N(N=C2C)C3=CC=CC=C3)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=C(N(N=C2C)C3=CC=CC=C3)C)F

InChI

InChI=1S/C20H20FN3OS/c1-13-9-10-16(11-18(13)21)22-19(25)12-26-20-14(2)23-24(15(20)3)17-7-5-4-6-8-17/h4-11H,12H2,1-3H3,(H,22,25)