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

Systemtic Name: 2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[4-(3,5-dimethyl-1-pyrazolyl)-1-phthalazinyl]thio]-N-phenylacetamide IUPAC Name: 2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]thio]-N-phenyl-acetamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5OS/c1-14-12-15(2)26(25-14)20-17-10-6-7-11-18(17)21(24-23-20)28-13-19(27)22-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H,22,27)