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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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