2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[4-(3,5-dimethyl-1-pyrazolyl)-1-phthalazinyl]thio]-1-phenylethanone IUPAC Name: 2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]thio]-1-phenyl-ethanone Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C3=CC=CC=C32)SCC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C3=CC=CC=C32)SCC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C21H18N4OS/c1-14-12-15(2)25(24-14)20-17-10-6-7-11-18(17)21(23-22-20)27-13-19(26)16-8-4-3-5-9-16/h3-12H,13H2,1-2H3