N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-methyl-benzamide

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-methyl-benzamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-methyl-benzamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N-methylbenzamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-methylbenzamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-N-methyl-benzamide Formula: C27H29N5OS MolecularWeight: 471.61706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)N(C)CC3=C(N(N=C3C)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)N(C)CC3=C(N(N=C3C)C4=CC=CC=C4)C)C

InChI

InChI=1S/C27H29N5OS/c1-18-15-19(2)29-27(28-18)34-17-22-11-9-10-14-24(22)26(33)31(5)16-25-20(3)30-32(21(25)4)23-12-7-6-8-13-23/h6-15H,16-17H2,1-5H3