1-[2-chloranyl-5-(trifluoromethyl)phenyl]-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanyl-pyrrole-2,5-dione

Systemtic Name: 1-[2-chloranyl-5-(trifluoromethyl)phenyl]-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-phenyl-1-piperazinyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-phenylpiperazino)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C27H21ClF3N3O2S MolecularWeight: 543.98775

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=C(C=CC(=C4)C(F)(F)F)Cl)SC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=C(C=CC(=C4)C(F)(F)F)Cl)SC5=CC=CC=C5

InChI

InChI=1S/C27H21ClF3N3O2S/c28-21-12-11-18(27(29,30)31)17-22(21)34-25(35)23(24(26(34)36)37-20-9-5-2-6-10-20)33-15-13-32(14-16-33)19-7-3-1-4-8-19/h1-12,17H,13-16H2