3-(azepan-1-yl)-1-(3,4-dichlorophenyl)-4-phenylsulfanyl-pyrrole-2,5-dione

Systemtic Name: 3-(azepan-1-yl)-1-(3,4-dichlorophenyl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-(3,4-dichlorophenyl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-1-(3,4-dichlorophenyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-1-(3,4-dichlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-(3,4-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=CC(=C(C=C3)Cl)Cl)SC4=CC=CC=C4

Isomeric SMILES

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

InChI

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