9-chloranyl-7-(2-fluorophenyl)-6-oxidanidyl-1,5-dihydropyrimido[5,4-d][2]benzazepin-6-ium-2-thione

Systemtic Name: 9-chloranyl-7-(2-fluorophenyl)-6-oxidanidyl-1,5-dihydropyrimido[5,4-d][2]benzazepin-6-ium-2-thione Openeye Name: 9-chloro-7-(2-fluorophenyl)-6-oxido-1,5-dihydropyrimido[5,4-d][2]benzazepin-6-ium-2-thione CAS Name: 9-chloro-7-(2-fluorophenyl)-6-oxido-1,5-dihydropyrimido[5,4-d][2]benzazepin-6-ium-2-thione IUPAC Name: 9-chloro-7-(2-fluorophenyl)-6-oxido-1,5-dihydropyrimido[5,4-d][2]benzazepin-6-ium-2-thione Traditional Name: 9-chloro-7-(2-fluorophenyl)-6-oxido-1,5-dihydropyrimido[5,4-d][2]benzazepin-6-ium-2-thione Formula: C18H11ClFN3OS MolecularWeight: 371.815843

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C3=C(C=C(C=C3)Cl)C(=[N+]1[O-])C4=CC=CC=C4F)NC(=S)N=C2

Isomeric SMILES

C1C2=C(C3=C(C=C(C=C3)Cl)C(=[N+]1[O-])C4=CC=CC=C4F)NC(=S)N=C2

InChI

InChI=1S/C18H11ClFN3OS/c19-11-5-6-12-14(7-11)17(13-3-1-2-4-15(13)20)23(24)9-10-8-21-18(25)22-16(10)12/h1-8H,9H2,(H,21,22,25)