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

Systemtic Name: 1-(4-chloranyl-2-methyl-phenyl)-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-chloro-2-methyl-phenyl)-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(4-chloro-2-methylphenyl)-3-(4-phenyl-1-piperazinyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(4-chloro-2-methyl-phenyl)-3-(4-phenylpiperazino)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C27H24ClN3O2S MolecularWeight: 490.01636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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