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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)Cl)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)Cl)N4CCN(CC4)C5=CC=CC=C5

InChI

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