N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)NCCCN3C(=CC(=N3)C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)NCCCN3C(=CC(=N3)C)C)C

InChI

InChI=1S/C22H27N5OS/c1-15-12-16(2)25-22(24-15)29-14-19-8-5-6-9-20(19)21(28)23-10-7-11-27-18(4)13-17(3)26-27/h5-6,8-9,12-13H,7,10-11,14H2,1-4H3,(H,23,28)