N-(3-chloranyl-2-methyl-phenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-(4-morpholinophthalazin-1-yl)sulfanyl-acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[[4-(4-morpholinyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[(4-morpholinophthalazin-1-yl)thio]acetamide Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(C3=CC=CC=C32)N4CCOCC4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(C3=CC=CC=C32)N4CCOCC4

InChI

InChI=1S/C21H21ClN4O2S/c1-14-17(22)7-4-8-18(14)23-19(27)13-29-21-16-6-3-2-5-15(16)20(24-25-21)26-9-11-28-12-10-26/h2-8H,9-13H2,1H3,(H,23,27)