N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phthalazin-1-ylsulfanyl-ethanamide

Systemtic Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phthalazin-1-ylsulfanyl-ethanamide Openeye Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-2-phthalazin-1-ylsulfanyl-acetamide CAS Name: N-[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]-2-(1-phthalazinylthio)acetamide IUPAC Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phthalazin-1-ylsulfanylacetamide Traditional Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-2-(phthalazin-1-ylthio)acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CSC3=NN=CC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CSC3=NN=CC4=CC=CC=C43)C

InChI

InChI=1S/C22H21N5OS/c1-14-8-10-18(11-9-14)27-16(3)21(15(2)26-27)24-20(28)13-29-22-19-7-5-4-6-17(19)12-23-25-22/h4-12H,13H2,1-3H3,(H,24,28)