4-azanyl-8-methylsulfonyl-2-(trifluoromethyl)pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carbonitrile

Systemtic Name: 4-azanyl-8-methylsulfonyl-2-(trifluoromethyl)pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carbonitrile Openeye Name: 4-amino-8-methylsulfonyl-2-(trifluoromethyl)pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carbonitrile CAS Name: 4-amino-8-methylsulfonyl-2-(trifluoromethyl)-3-pyrimido[2,1-b][1,3]benzothiazol-5-iumcarbonitrile IUPAC Name: 4-amino-8-methylsulfonyl-2-(trifluoromethyl)pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carbonitrile Traditional Name: 4-amino-8-mesyl-2-(trifluoromethyl)pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carbonitrile Formula: C13H8F3N4O2S2+ MolecularWeight: 373.35343

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)[N+]3=C(C(=C(N=C3S2)C(F)(F)F)C#N)N

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)[N+]3=C(C(=C(N=C3S2)C(F)(F)F)C#N)N

InChI

InChI=1S/C13H7F3N4O2S2/c1-24(21,22)6-2-3-8-9(4-6)23-12-19-10(13(14,15)16)7(5-17)11(18)20(8)12/h2-4,18H,1H3/p+1