N-(2,5-dimethylphenyl)-2-phthalazin-1-ylsulfanyl-ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-phthalazin-1-ylsulfanyl-ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-phthalazin-1-ylsulfanyl-acetamide CAS Name: N-(2,5-dimethylphenyl)-2-(1-phthalazinylthio)acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-phthalazin-1-ylsulfanylacetamide Traditional Name: N-(2,5-dimethylphenyl)-2-(phthalazin-1-ylthio)acetamide Formula: C18H17N3OS MolecularWeight: 323.41208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=CC3=CC=CC=C32

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=CC3=CC=CC=C32

InChI

InChI=1S/C18H17N3OS/c1-12-7-8-13(2)16(9-12)20-17(22)11-23-18-15-6-4-3-5-14(15)10-19-21-18/h3-10H,11H2,1-2H3,(H,20,22)