2-(4-phenylphthalazin-1-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: 2-(4-phenylphthalazin-1-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-(4-phenylphthalazin-1-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-[(4-phenyl-1-phthalazinyl)thio]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-(4-phenylphthalazin-1-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-[(4-phenylphthalazin-1-yl)thio]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

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