1-[4-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-2,6-dimethyl-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-2,6-dimethyl-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-2,6-dimethyl-pyrimidin-5-yl]ethanone CAS Name: 1-[4-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylthio]-2,6-dimethyl-5-pyrimidinyl]ethanone IUPAC Name: 1-[4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-2,6-dimethylpyrimidin-5-yl]ethanone Traditional Name: 1-[4-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylthio]-2,6-dimethyl-pyrimidin-5-yl]ethanone Formula: C19H19ClN4OS MolecularWeight: 386.89836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC2=C(N(N=C2C)C3=CC=CC=C3)Cl)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC2=C(N(N=C2C)C3=CC=CC=C3)Cl)C(=O)C

InChI

InChI=1S/C19H19ClN4OS/c1-11-16(18(20)24(23-11)15-8-6-5-7-9-15)10-26-19-17(13(3)25)12(2)21-14(4)22-19/h5-9H,10H2,1-4H3