2,2,2-tris(fluoranyl)-N-(5-oxidanidyl-1-propylsulfanyl-benzo[c]cinnolin-5-ium-10-yl)ethanamide

Systemtic Name: 2,2,2-tris(fluoranyl)-N-(5-oxidanidyl-1-propylsulfanyl-benzo[c]cinnolin-5-ium-10-yl)ethanamide Openeye Name: 2,2,2-trifluoro-N-(5-oxido-1-propylsulfanyl-benzo[c]cinnolin-5-ium-10-yl)acetamide CAS Name: 2,2,2-trifluoro-N-[5-oxido-1-(propylthio)-10-benzo[c]cinnolin-5-iumyl]acetamide IUPAC Name: 2,2,2-trifluoro-N-(5-oxido-1-propylsulfanylbenzo[c]cinnolin-5-ium-10-yl)acetamide Traditional Name: 2,2,2-trifluoro-N-[5-oxido-1-(propylthio)benzo[c]cinnolin-5-ium-10-yl]acetamide Formula: C17H14F3N3O2S MolecularWeight: 381.37217

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC2=[N+](N=C3C=CC=C(C3=C21)NC(=O)C(F)(F)F)[O-]

Isomeric SMILES

CCCSC1=CC=CC2=[N+](N=C3C=CC=C(C3=C21)NC(=O)C(F)(F)F)[O-]

InChI

InChI=1S/C17H14F3N3O2S/c1-2-9-26-13-8-4-7-12-15(13)14-10(21-16(24)17(18,19)20)5-3-6-11(14)22-23(12)25/h3-8H,2,9H2,1H3,(H,21,24)