N-(2-methyl-5-nitro-phenyl)-2-phthalazin-1-ylsulfanyl-ethanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-phthalazin-1-ylsulfanyl-ethanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-2-phthalazin-1-ylsulfanyl-acetamide CAS Name: N-(2-methyl-5-nitrophenyl)-2-(1-phthalazinylthio)acetamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-2-phthalazin-1-ylsulfanylacetamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-2-(phthalazin-1-ylthio)acetamide Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O3S/c1-11-6-7-13(21(23)24)8-15(11)19-16(22)10-25-17-14-5-3-2-4-12(14)9-18-20-17/h2-9H,10H2,1H3,(H,19,22)