2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide

Systemtic Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide Openeye Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[2-(2-thienylmethyl)pyrazol-3-yl]benzamide CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N-[2-(thiophen-2-ylmethyl)-3-pyrazolyl]benzamide IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-N-[2-(2-thenyl)pyrazol-3-yl]benzamide Formula: C22H21N5OS2 MolecularWeight: 435.56504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)NC3=CC=NN3CC4=CC=CS4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)NC3=CC=NN3CC4=CC=CS4)C

InChI

InChI=1S/C22H21N5OS2/c1-15-12-16(2)25-22(24-15)30-14-17-6-3-4-8-19(17)21(28)26-20-9-10-23-27(20)13-18-7-5-11-29-18/h3-12H,13-14H2,1-2H3,(H,26,28)