1-(2,3-dimethylphenyl)-3-(4-methylphenyl)sulfanyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione

Systemtic Name: 1-(2,3-dimethylphenyl)-3-(4-methylphenyl)sulfanyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Openeye Name: 1-(2,3-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)thio]-4-(4-phenyl-1-piperazinyl)pyrrole-2,5-dione IUPAC Name: 1-(2,3-dimethylphenyl)-3-(4-methylphenyl)sulfanyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Traditional Name: 1-(2,3-dimethylphenyl)-3-(4-phenylpiperazino)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C29H29N3O2S MolecularWeight: 483.62446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC=CC(=C3C)C)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC=CC(=C3C)C)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H29N3O2S/c1-20-12-14-24(15-13-20)35-27-26(31-18-16-30(17-19-31)23-9-5-4-6-10-23)28(33)32(29(27)34)25-11-7-8-21(2)22(25)3/h4-15H,16-19H2,1-3H3