3-[(2,4-dimethylphenyl)sulfanylmethyl]-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide

Systemtic Name: 3-[(2,4-dimethylphenyl)sulfanylmethyl]-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide Openeye Name: 3-[(2,4-dimethylphenyl)sulfanylmethyl]-N-[2-(2-pyridylmethyl)pyrazol-3-yl]benzamide CAS Name: 3-[[(2,4-dimethylphenyl)thio]methyl]-N-[2-(2-pyridinylmethyl)-3-pyrazolyl]benzamide IUPAC Name: 3-[(2,4-dimethylphenyl)sulfanylmethyl]-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide Traditional Name: 3-[[(2,4-dimethylphenyl)thio]methyl]-N-[2-(2-pyridylmethyl)pyrazol-3-yl]benzamide Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)NC3=CC=NN3CC4=CC=CC=N4)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)NC3=CC=NN3CC4=CC=CC=N4)C

InChI

InChI=1S/C25H24N4OS/c1-18-9-10-23(19(2)14-18)31-17-20-6-5-7-21(15-20)25(30)28-24-11-13-27-29(24)16-22-8-3-4-12-26-22/h3-15H,16-17H2,1-2H3,(H,28,30)