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

Systemtic Name: 1-(4-chlorophenyl)-3-(cyclohexylamino)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-chlorophenyl)-3-(cyclohexylamino)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(4-chlorophenyl)-3-(cyclohexylamino)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(4-chlorophenyl)-3-(cyclohexylamino)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(4-chlorophenyl)-3-(cyclohexylamino)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C22H21ClN2O2S MolecularWeight: 412.93234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)Cl)SC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)Cl)SC4=CC=CC=C4

InChI

InChI=1S/C22H21ClN2O2S/c23-15-11-13-17(14-12-15)25-21(26)19(24-16-7-3-1-4-8-16)20(22(25)27)28-18-9-5-2-6-10-18/h2,5-6,9-14,16,24H,1,3-4,7-8H2