3-(azepan-1-yl)-1-(2-chlorophenyl)-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione

Systemtic Name: 3-(azepan-1-yl)-1-(2-chlorophenyl)-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-(2-chlorophenyl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-1-(2-chlorophenyl)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-1-(2-chlorophenyl)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-(2-chlorophenyl)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C23H23ClN2O2S MolecularWeight: 426.95892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC=CC=C3Cl)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC=CC=C3Cl)N4CCCCCC4

InChI

InChI=1S/C23H23ClN2O2S/c1-16-10-12-17(13-11-16)29-21-20(25-14-6-2-3-7-15-25)22(27)26(23(21)28)19-9-5-4-8-18(19)24/h4-5,8-13H,2-3,6-7,14-15H2,1H3