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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[[4-(3,5-dimethyl-1-pyrazolyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanylacetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]thio]acetamide Formula: C22H20ClN5OS MolecularWeight: 437.9451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN5OS/c1-13-11-14(2)28(27-13)21-16-7-4-5-8-17(16)22(26-25-21)30-12-20(29)24-19-10-6-9-18(23)15(19)3/h4-11H,12H2,1-3H3,(H,24,29)