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

Systemtic Name: N-cyclohexyl-2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: N-cyclohexyl-2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: N-cyclohexyl-2-[[4-(3,5-dimethyl-1-pyrazolyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-cyclohexyl-2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanylacetamide Traditional Name: N-cyclohexyl-2-[[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]thio]acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C3=CC=CC=C32)SCC(=O)NC4CCCCC4)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C3=CC=CC=C32)SCC(=O)NC4CCCCC4)C

InChI

InChI=1S/C21H25N5OS/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/h6-7,10-12,16H,3-5,8-9,13H2,1-2H3,(H,22,27)