N-(3-cyanophenyl)-2-phthalazin-1-ylsulfanyl-ethanamide

Systemtic Name: N-(3-cyanophenyl)-2-phthalazin-1-ylsulfanyl-ethanamide Openeye Name: N-(3-cyanophenyl)-2-phthalazin-1-ylsulfanyl-acetamide CAS Name: N-(3-cyanophenyl)-2-(1-phthalazinylthio)acetamide IUPAC Name: N-(3-cyanophenyl)-2-phthalazin-1-ylsulfanylacetamide Traditional Name: N-(3-cyanophenyl)-2-(phthalazin-1-ylthio)acetamide Formula: C17H12N4OS MolecularWeight: 320.36838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN=C2SCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=NN=C2SCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H12N4OS/c18-9-12-4-3-6-14(8-12)20-16(22)11-23-17-15-7-2-1-5-13(15)10-19-21-17/h1-8,10H,11H2,(H,20,22)