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

Systemtic Name: 2-[3-(3-ethoxy-4-oxidanyl-phenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-yl-ethanone Openeye Name: 2-[3-(3-ethoxy-4-hydroxy-phenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-yl-ethanone CAS Name: 2-[3-(3-ethoxy-4-hydroxyphenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-[3-(3-ethoxy-4-hydroxyphenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone Traditional Name: 2-[5-(3-ethoxy-4-hydroxy-phenyl)-3-(4-nitrophenyl)-2-pyrazolin-1-yl]-1-phenothiazin-10-yl-ethanone Formula: C31H26N4O5S MolecularWeight: 566.62694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2CC(=NN2CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=C(C=C6)[N+](=O)[O-])O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2CC(=NN2CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=C(C=C6)[N+](=O)[O-])O

InChI

InChI=1S/C31H26N4O5S/c1-2-40-28-17-21(13-16-27(28)36)26-18-23(20-11-14-22(15-12-20)35(38)39)32-33(26)19-31(37)34-24-7-3-5-9-29(24)41-30-10-6-4-8-25(30)34/h3-17,26,36H,2,18-19H2,1H3