N-(2,4-dimethyl-6-nitro-phenyl)-2-phthalazin-1-ylsulfanyl-ethanamide

Systemtic Name: N-(2,4-dimethyl-6-nitro-phenyl)-2-phthalazin-1-ylsulfanyl-ethanamide Openeye Name: N-(2,4-dimethyl-6-nitro-phenyl)-2-phthalazin-1-ylsulfanyl-acetamide CAS Name: N-(2,4-dimethyl-6-nitrophenyl)-2-(1-phthalazinylthio)acetamide IUPAC Name: N-(2,4-dimethyl-6-nitrophenyl)-2-phthalazin-1-ylsulfanylacetamide Traditional Name: N-(2,4-dimethyl-6-nitro-phenyl)-2-(phthalazin-1-ylthio)acetamide Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=CC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=CC3=CC=CC=C32)C

InChI

InChI=1S/C18H16N4O3S/c1-11-7-12(2)17(15(8-11)22(24)25)20-16(23)10-26-18-14-6-4-3-5-13(14)9-19-21-18/h3-9H,10H2,1-2H3,(H,20,23)