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

Systemtic Name: 2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: 2-[[4-(3,5-dimethyl-1-pyrazolyl)-1-phthalazinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]thio]acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C3=CC=CC=C32)SCC(=O)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C3=CC=CC=C32)SCC(=O)NCC4=CC=CC=C4)C

InChI

InChI=1S/C22H21N5OS/c1-15-12-16(2)27(26-15)21-18-10-6-7-11-19(18)22(25-24-21)29-14-20(28)23-13-17-8-4-3-5-9-17/h3-12H,13-14H2,1-2H3,(H,23,28)