3-(azepan-1-yl)-1-[2,3-bis(chloranyl)phenyl]-4-phenylsulfanyl-pyrrole-2,5-dione

Systemtic Name: 3-(azepan-1-yl)-1-[2,3-bis(chloranyl)phenyl]-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-(2,3-dichlorophenyl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-1-(2,3-dichlorophenyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-1-(2,3-dichlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-(2,3-dichlorophenyl)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C22H20Cl2N2O2S MolecularWeight: 447.3774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)N(C2=O)C3=C(C(=CC=C3)Cl)Cl)SC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)N(C2=O)C3=C(C(=CC=C3)Cl)Cl)SC4=CC=CC=C4

InChI

InChI=1S/C22H20Cl2N2O2S/c23-16-11-8-12-17(18(16)24)26-21(27)19(25-13-6-1-2-7-14-25)20(22(26)28)29-15-9-4-3-5-10-15/h3-5,8-12H,1-2,6-7,13-14H2