1-[5-methyl-1-(2-methylsulfanyl-6-naphthalen-1-yloxy-pyrimidin-4-yl)pyrazol-4-yl]ethanone

Systemtic Name: 1-[5-methyl-1-(2-methylsulfanyl-6-naphthalen-1-yloxy-pyrimidin-4-yl)pyrazol-4-yl]ethanone Openeye Name: 1-[5-methyl-1-[2-methylsulfanyl-6-(1-naphthyloxy)pyrimidin-4-yl]pyrazol-4-yl]ethanone CAS Name: 1-[5-methyl-1-[2-(methylthio)-6-(1-naphthalenyloxy)-4-pyrimidinyl]-4-pyrazolyl]ethanone IUPAC Name: 1-[5-methyl-1-(2-methylsulfanyl-6-naphthalen-1-yloxypyrimidin-4-yl)pyrazol-4-yl]ethanone Traditional Name: 1-[5-methyl-1-[2-(methylthio)-6-(1-naphthoxy)pyrimidin-4-yl]pyrazol-4-yl]ethanone Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC(=NC(=N2)SC)OC3=CC=CC4=CC=CC=C43)C(=O)C

Isomeric SMILES

CC1=C(C=NN1C2=CC(=NC(=N2)SC)OC3=CC=CC4=CC=CC=C43)C(=O)C

InChI

InChI=1S/C21H18N4O2S/c1-13-17(14(2)26)12-22-25(13)19-11-20(24-21(23-19)28-3)27-18-10-6-8-15-7-4-5-9-16(15)18/h4-12H,1-3H3