2-(4-phenylphthalazin-1-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

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