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

Systemtic Name: 1-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(3-chlorophenyl)-3-(4-phenyl-1-piperazinyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(3-chlorophenyl)-3-(4-phenylpiperazino)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C26H22ClN3O2S MolecularWeight: 475.98978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22ClN3O2S/c27-19-8-7-11-21(18-19)30-25(31)23(24(26(30)32)33-22-12-5-2-6-13-22)29-16-14-28(15-17-29)20-9-3-1-4-10-20/h1-13,18H,14-17H2