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

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-1-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Openeye Name: 3-(4-chlorophenyl)sulfanyl-1-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione CAS Name: 3-[(4-chlorophenyl)thio]-1-(4-ethylphenyl)-4-(4-phenyl-1-piperazinyl)pyrrole-2,5-dione IUPAC Name: 3-(4-chlorophenyl)sulfanyl-1-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Traditional Name: 3-[(4-chlorophenyl)thio]-1-(4-ethylphenyl)-4-(4-phenylpiperazino)-3-pyrroline-2,5-quinone Formula: C28H26ClN3O2S MolecularWeight: 504.04294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)Cl)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)Cl)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H26ClN3O2S/c1-2-20-8-12-23(13-9-20)32-27(33)25(26(28(32)34)35-24-14-10-21(29)11-15-24)31-18-16-30(17-19-31)22-6-4-3-5-7-22/h3-15H,2,16-19H2,1H3