N-(2-cyano-4-nitro-phenyl)-2-phthalazin-1-ylsulfanyl-ethanamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-phthalazin-1-ylsulfanyl-ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-phthalazin-1-ylsulfanyl-acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-(1-phthalazinylthio)acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-phthalazin-1-ylsulfanylacetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-(phthalazin-1-ylthio)acetamide Formula: C17H11N5O3S MolecularWeight: 365.36594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN=C2SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=NN=C2SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H11N5O3S/c18-8-12-7-13(22(24)25)5-6-15(12)20-16(23)10-26-17-14-4-2-1-3-11(14)9-19-21-17/h1-7,9H,10H2,(H,20,23)