1-[3-nitro-4-(4-phenylphthalazin-1-yl)sulfanyl-phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-(4-phenylphthalazin-1-yl)sulfanyl-phenyl]ethanone Openeye Name: 1-[3-nitro-4-(4-phenylphthalazin-1-yl)sulfanyl-phenyl]ethanone CAS Name: 1-[3-nitro-4-[(4-phenyl-1-phthalazinyl)thio]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-(4-phenylphthalazin-1-yl)sulfanylphenyl]ethanone Traditional Name: 1-[3-nitro-4-[(4-phenylphthalazin-1-yl)thio]phenyl]ethanone Formula: C22H15N3O3S MolecularWeight: 401.4378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15N3O3S/c1-14(26)16-11-12-20(19(13-16)25(27)28)29-22-18-10-6-5-9-17(18)21(23-24-22)15-7-3-2-4-8-15/h2-13H,1H3