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

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(2,4-dimethylphenyl)sulfanyl-ethanamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(2,4-dimethylphenyl)sulfanyl-acetamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-[(2,4-dimethylphenyl)thio]acetamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(2,4-dimethylphenyl)sulfanylacetamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[(2,4-dimethylphenyl)thio]acetamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C)C

InChI

InChI=1S/C21H23N3OS/c1-14-10-11-19(15(2)12-14)26-13-20(25)22-21-16(3)23-24(17(21)4)18-8-6-5-7-9-18/h5-12H,13H2,1-4H3,(H,22,25)