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

Systemtic Name: 3-(azepan-1-yl)-1-(2-fluorophenyl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-(2-fluorophenyl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-1-(2-fluorophenyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-1-(2-fluorophenyl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-(2-fluorophenyl)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C22H21FN2O2S MolecularWeight: 396.477743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3F)SC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3F)SC4=CC=CC=C4

InChI

InChI=1S/C22H21FN2O2S/c23-17-12-6-7-13-18(17)25-21(26)19(24-14-8-1-2-9-15-24)20(22(25)27)28-16-10-4-3-5-11-16/h3-7,10-13H,1-2,8-9,14-15H2