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

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Openeye Name: 3-(4-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione CAS Name: 3-[(4-chlorophenyl)thio]-1-(4-methoxyphenyl)-4-(4-phenyl-1-piperazinyl)pyrrole-2,5-dione IUPAC Name: 3-(4-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Traditional Name: 3-[(4-chlorophenyl)thio]-1-(4-methoxyphenyl)-4-(4-phenylpiperazino)-3-pyrroline-2,5-quinone Formula: C27H24ClN3O3S MolecularWeight: 506.01576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)Cl)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)Cl)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H24ClN3O3S/c1-34-22-11-9-21(10-12-22)31-26(32)24(25(27(31)33)35-23-13-7-19(28)8-14-23)30-17-15-29(16-18-30)20-5-3-2-4-6-20/h2-14H,15-18H2,1H3