3-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Openeye Name: 3-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione CAS Name: 3-[(4-chlorophenyl)thio]-1-(4-fluorophenyl)-4-(4-phenyl-1-piperazinyl)pyrrole-2,5-dione IUPAC Name: 3-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Traditional Name: 3-[(4-chlorophenyl)thio]-1-(4-fluorophenyl)-4-(4-phenylpiperazino)-3-pyrroline-2,5-quinone Formula: C26H21ClFN3O2S MolecularWeight: 493.980243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21ClFN3O2S/c27-18-6-12-22(13-7-18)34-24-23(25(32)31(26(24)33)21-10-8-19(28)9-11-21)30-16-14-29(15-17-30)20-4-2-1-3-5-20/h1-13H,14-17H2