N-(2,1,3-benzothiadiazol-4-yl)-2-phthalazin-1-ylsulfanyl-ethanamide

Systemtic Name: N-(2,1,3-benzothiadiazol-4-yl)-2-phthalazin-1-ylsulfanyl-ethanamide Openeye Name: N-(2,1,3-benzothiadiazol-4-yl)-2-phthalazin-1-ylsulfanyl-acetamide CAS Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(1-phthalazinylthio)acetamide IUPAC Name: N-(2,1,3-benzothiadiazol-4-yl)-2-phthalazin-1-ylsulfanylacetamide Traditional Name: 2-(phthalazin-1-ylthio)-N-piazthiol-4-yl-acetamide Formula: C16H11N5OS2 MolecularWeight: 353.42144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN=C2SCC(=O)NC3=CC=CC4=NSN=C43

Isomeric SMILES

C1=CC=C2C(=C1)C=NN=C2SCC(=O)NC3=CC=CC4=NSN=C43

InChI

InChI=1S/C16H11N5OS2/c22-14(18-12-6-3-7-13-15(12)21-24-20-13)9-23-16-11-5-2-1-4-10(11)8-17-19-16/h1-8H,9H2,(H,18,22)