1-(4-nitrothiophen-2-yl)-2-phthalazin-1-ylsulfanyl-ethanone

Systemtic Name: 1-(4-nitrothiophen-2-yl)-2-phthalazin-1-ylsulfanyl-ethanone Openeye Name: 1-(4-nitro-2-thienyl)-2-phthalazin-1-ylsulfanyl-ethanone CAS Name: 1-(4-nitro-2-thiophenyl)-2-(1-phthalazinylthio)ethanone IUPAC Name: 1-(4-nitrothiophen-2-yl)-2-phthalazin-1-ylsulfanylethanone Traditional Name: 1-(4-nitro-2-thienyl)-2-(phthalazin-1-ylthio)ethanone Formula: C14H9N3O3S2 MolecularWeight: 331.36956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN=C2SCC(=O)C3=CC(=CS3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=NN=C2SCC(=O)C3=CC(=CS3)[N+](=O)[O-]

InChI

InChI=1S/C14H9N3O3S2/c18-12(13-5-10(7-21-13)17(19)20)8-22-14-11-4-2-1-3-9(11)6-15-16-14/h1-7H,8H2