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

Systemtic Name: 2-[5-(4-chlorophenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-yl-ethanone Openeye Name: 2-[5-(4-chlorophenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-yl-ethanone CAS Name: 2-[5-(4-chlorophenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-[5-(4-chlorophenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone Traditional Name: 2-[3-(4-chlorophenyl)-5-(4-nitrophenyl)-2-pyrazolin-1-yl]-1-phenothiazin-10-yl-ethanone Formula: C29H21ClN4O3S MolecularWeight: 541.02004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H21ClN4O3S/c30-21-13-9-19(10-14-21)23-17-26(20-11-15-22(16-12-20)34(36)37)32(31-23)18-29(35)33-24-5-1-3-7-27(24)38-28-8-4-2-6-25(28)33/h1-16,26H,17-18H2