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

Systemtic Name: 2-[3-(4-dimethylaminophenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-yl-ethanone Openeye Name: 2-[3-(4-dimethylaminophenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-yl-ethanone CAS Name: 2-[3-(4-dimethylaminophenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-[3-(4-dimethylaminophenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone Traditional Name: 2-[5-(4-dimethylaminophenyl)-3-(4-nitrophenyl)-2-pyrazolin-1-yl]-1-phenothiazin-10-yl-ethanone Formula: C31H27N5O3S MolecularWeight: 549.64278

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2CC(=NN2CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2CC(=NN2CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C31H27N5O3S/c1-33(2)23-15-13-22(14-16-23)28-19-25(21-11-17-24(18-12-21)36(38)39)32-34(28)20-31(37)35-26-7-3-5-9-29(26)40-30-10-6-4-8-27(30)35/h3-18,28H,19-20H2,1-2H3