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

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-1-(3,5-dimethylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione Openeye Name: 3-(4-chlorophenyl)sulfanyl-1-(3,5-dimethylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione CAS Name: 3-[(4-chlorophenyl)thio]-1-(3,5-dimethylphenyl)-4-(4-methyl-1-piperazinyl)pyrrole-2,5-dione IUPAC Name: 3-(4-chlorophenyl)sulfanyl-1-(3,5-dimethylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione Traditional Name: 3-[(4-chlorophenyl)thio]-1-(3,5-dimethylphenyl)-4-(4-methylpiperazino)-3-pyrroline-2,5-quinone Formula: C23H24ClN3O2S MolecularWeight: 441.97356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN3O2S/c1-15-12-16(2)14-18(13-15)27-22(28)20(26-10-8-25(3)9-11-26)21(23(27)29)30-19-6-4-17(24)5-7-19/h4-7,12-14H,8-11H2,1-3H3