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

Systemtic Name: 1-(3-chlorophenyl)-3-(4-methylphenyl)sulfanyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Openeye Name: 1-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(3-chlorophenyl)-3-[(4-methylphenyl)thio]-4-(4-phenyl-1-piperazinyl)pyrrole-2,5-dione IUPAC Name: 1-(3-chlorophenyl)-3-(4-methylphenyl)sulfanyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Traditional Name: 1-(3-chlorophenyl)-3-(4-phenylpiperazino)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C27H24ClN3O2S MolecularWeight: 490.01636

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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=C3)Cl)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H24ClN3O2S/c1-19-10-12-23(13-11-19)34-25-24(26(32)31(27(25)33)22-9-5-6-20(28)18-22)30-16-14-29(15-17-30)21-7-3-2-4-8-21/h2-13,18H,14-17H2,1H3