2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(5-methoxy-2-oxidanyl-phenyl)carbonylpyrazol-1-yl]ethanone

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(5-methoxy-2-oxidanyl-phenyl)carbonylpyrazol-1-yl]ethanone Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(2-hydroxy-5-methoxy-benzoyl)pyrazol-1-yl]ethanone CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-[4-[(2-hydroxy-5-methoxyphenyl)-oxomethyl]-1-pyrazolyl]ethanone IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]ethanone Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-1-[4-(2-hydroxy-5-methoxy-benzoyl)pyrazol-1-yl]ethanone Formula: C19H18N4O4S MolecularWeight: 398.43562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)OC)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)OC)O)C

InChI

InChI=1S/C19H18N4O4S/c1-11-6-12(2)22-19(21-11)28-10-17(25)23-9-13(8-20-23)18(26)15-7-14(27-3)4-5-16(15)24/h4-9,24H,10H2,1-3H3