2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanyl-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanyl-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanyl-N-(4-fluorophenyl)acetamide CAS Name: 2-[[4-(3,5-dimethyl-1-pyrazolyl)-1-phthalazinyl]thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanyl-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]thio]-N-(4-fluorophenyl)acetamide Formula: C21H18FN5OS MolecularWeight: 407.463923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C3=CC=CC=C32)SCC(=O)NC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C3=CC=CC=C32)SCC(=O)NC4=CC=C(C=C4)F)C

InChI

InChI=1S/C21H18FN5OS/c1-13-11-14(2)27(26-13)20-17-5-3-4-6-18(17)21(25-24-20)29-12-19(28)23-16-9-7-15(22)8-10-16/h3-11H,12H2,1-2H3,(H,23,28)