4-azanyl-2-(trifluoromethyl)pyrimido[2,1-b][1,3]benzothiazole-1,5-diium-3-carbonitrile

Systemtic Name: 4-azanyl-2-(trifluoromethyl)pyrimido[2,1-b][1,3]benzothiazole-1,5-diium-3-carbonitrile Openeye Name: 4-amino-2-(trifluoromethyl)pyrimido[2,1-b][1,3]benzothiazole-1,5-diium-3-carbonitrile CAS Name: 4-amino-2-(trifluoromethyl)-3-pyrimido[2,1-b][1,3]benzothiazole-1,5-diiumcarbonitrile IUPAC Name: 4-amino-2-(trifluoromethyl)pyrimido[2,1-b][1,3]benzothiazole-1,5-diium-3-carbonitrile Traditional Name: 4-amino-2-(trifluoromethyl)pyrimido[2,1-b][1,3]benzothiazole-1,5-diium-3-carbonitrile Formula: C12H7F3N4S+2 MolecularWeight: 296.27099

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+]3=C(C(=C([NH+]=C3S2)C(F)(F)F)C#N)N

Isomeric SMILES

C1=CC=C2C(=C1)[N+]3=C(C(=C([NH+]=C3S2)C(F)(F)F)C#N)N

InChI

InChI=1S/C12H5F3N4S/c13-12(14,15)9-6(5-16)10(17)19-7-3-1-2-4-8(7)20-11(19)18-9/h1-4,17H/p+2