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

Systemtic Name: 2-[3-(3,4-dimethylphenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-yl-ethanone Openeye Name: 2-[3-(3,4-dimethylphenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-yl-ethanone CAS Name: 2-[3-(3,4-dimethylphenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-[3-(3,4-dimethylphenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone Traditional Name: 2-[5-(3,4-dimethylphenyl)-3-(4-nitrophenyl)-2-pyrazolin-1-yl]-1-phenothiazin-10-yl-ethanone Formula: C31H26N4O3S MolecularWeight: 534.62814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2CC(=NN2CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=C(C=C6)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2CC(=NN2CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=C(C=C6)[N+](=O)[O-])C

InChI

InChI=1S/C31H26N4O3S/c1-20-11-12-23(17-21(20)2)28-18-25(22-13-15-24(16-14-22)35(37)38)32-33(28)19-31(36)34-26-7-3-5-9-29(26)39-30-10-6-4-8-27(30)34/h3-17,28H,18-19H2,1-2H3