3-(azepan-1-yl)-1-(3-chloranyl-4-fluoranyl-phenyl)-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione

Systemtic Name: 3-(azepan-1-yl)-1-(3-chloranyl-4-fluoranyl-phenyl)-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-(3-chloro-4-fluoro-phenyl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-1-(3-chloro-4-fluorophenyl)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-1-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-(3-chloro-4-fluoro-phenyl)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C23H22ClFN2O2S MolecularWeight: 444.949383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl)N4CCCCCC4

InChI

InChI=1S/C23H22ClFN2O2S/c1-15-6-9-17(10-7-15)30-21-20(26-12-4-2-3-5-13-26)22(28)27(23(21)29)16-8-11-19(25)18(24)14-16/h6-11,14H,2-5,12-13H2,1H3