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

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-ethanamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-acetamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]acetamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetamide Traditional Name: N-[4-(dimethylamino)benzyl]-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]acetamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)NCC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)NCC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H26N4OS/c1-16-22(17(2)26(24-16)20-8-6-5-7-9-20)28-15-21(27)23-14-18-10-12-19(13-11-18)25(3)4/h5-13H,14-15H2,1-4H3,(H,23,27)