6-methyl-2-thiophen-2-yl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile

Systemtic Name: 6-methyl-2-thiophen-2-yl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile Openeye Name: 6-methyl-2-(2-thienyl)-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile CAS Name: 6-methyl-2-thiophen-2-yl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile IUPAC Name: 6-methyl-2-thiophen-2-yl-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile Traditional Name: 6-methyl-2-(2-thienyl)-4,4-bis(trifluoromethyl)-1H-pyrimidin-3-ium-5-carbonitrile Formula: C12H8F6N3S+ MolecularWeight: 340.267439

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C([NH+]=C(N1)C2=CC=CS2)(C(F)(F)F)C(F)(F)F)C#N

Isomeric SMILES

CC1=C(C([NH+]=C(N1)C2=CC=CS2)(C(F)(F)F)C(F)(F)F)C#N

InChI

InChI=1S/C12H7F6N3S/c1-6-7(5-19)10(11(13,14)15,12(16,17)18)21-9(20-6)8-3-2-4-22-8/h2-4H,1H3,(H,20,21)/p+1