3-(4-chlorophenyl)sulfanyl-4-(cyclohexylamino)-1-(4-phenoxyphenyl)pyrrole-2,5-dione

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-4-(cyclohexylamino)-1-(4-phenoxyphenyl)pyrrole-2,5-dione Openeye Name: 3-(4-chlorophenyl)sulfanyl-4-(cyclohexylamino)-1-(4-phenoxyphenyl)pyrrole-2,5-dione CAS Name: 3-[(4-chlorophenyl)thio]-4-(cyclohexylamino)-1-(4-phenoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3-(4-chlorophenyl)sulfanyl-4-(cyclohexylamino)-1-(4-phenoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-[(4-chlorophenyl)thio]-4-(cyclohexylamino)-1-(4-phenoxyphenyl)-3-pyrroline-2,5-quinone Formula: C28H25ClN2O3S MolecularWeight: 505.0277

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)SC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCC(CC1)NC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)SC5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H25ClN2O3S/c29-19-11-17-24(18-12-19)35-26-25(30-20-7-3-1-4-8-20)27(32)31(28(26)33)21-13-15-23(16-14-21)34-22-9-5-2-6-10-22/h2,5-6,9-18,20,30H,1,3-4,7-8H2