1-(3-chloranyl-4-methyl-phenyl)-3-(4-methylphenyl)sulfanyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-(4-methylphenyl)sulfanyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-(4-phenylpiperazin-1-yl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(3-chloro-4-methylphenyl)-3-[(4-methylphenyl)thio]-4-(4-phenyl-1-piperazinyl)pyrrole-2,5-dione IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-(4-phenylpiperazino)-4-(p-tolylthio)-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)SC2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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