2-[3,5-bis(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-yl-ethanone

Systemtic Name: 2-[3,5-bis(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-yl-ethanone Openeye Name: 2-[3,5-bis(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-yl-ethanone CAS Name: 2-[3,5-bis(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-[3,5-bis(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone Traditional Name: 2-[3,5-bis(4-nitrophenyl)-2-pyrazolin-1-yl]-1-phenothiazin-10-yl-ethanone Formula: C29H21N5O5S MolecularWeight: 551.57254

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=C(C=C2)[N+](=O)[O-])CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1C(N(N=C1C2=CC=C(C=C2)[N+](=O)[O-])CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C29H21N5O5S/c35-29(32-24-5-1-3-7-27(24)40-28-8-4-2-6-25(28)32)18-31-26(20-11-15-22(16-12-20)34(38)39)17-23(30-31)19-9-13-21(14-10-19)33(36)37/h1-16,26H,17-18H2