(5E)-5-[3-azanyl-4,7-bis(fluoranyl)isoindol-1-ylidene]-2-azanylidene-1,3-thiazol-4-amine ethanoate

Systemtic Name: (5E)-5-[3-azanyl-4,7-bis(fluoranyl)isoindol-1-ylidene]-2-azanylidene-1,3-thiazol-4-amine ethanoate Openeye Name: (5E)-5-(3-amino-4,7-difluoro-isoindol-1-ylidene)-2-imino-thiazol-4-amine acetate CAS Name: (5E)-5-(3-amino-4,7-difluoro-1-isoindolylidene)-2-imino-4-thiazolamine acetate IUPAC Name: (5E)-5-(3-amino-4,7-difluoroisoindol-1-ylidene)-2-imino-1,3-thiazol-4-amine acetate Traditional Name: [(5E)-5-(3-amino-4,7-difluoro-isoindol-1-ylidene)-2-imino-3-thiazolin-4-yl]amine acetate Formula: C13H10F2N5O2S- MolecularWeight: 338.312606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC(=C2C(=C1F)C(=C3C(=NC(=N)S3)N)N=C2N)F

Isomeric SMILES

CC(=O)[O-].C1=CC(=C2C(=C1F)/C(=C\3/C(=NC(=N)S3)N)/N=C2N)F

InChI

InChI=1S/C11H7F2N5S.C2H4O2/c12-3-1-2-4(13)6-5(3)7(17-9(6)14)8-10(15)18-11(16)19-8;1-2(3)4/h1-2H,(H2,14,17)(H3,15,16,18);1H3,(H,3,4)/p-1/b8-7+;