S-[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-pyrimidin-1-ium-2-yl] 6-fluoranylpyrazine-2-carbothioate

Systemtic Name: S-[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-pyrimidin-1-ium-2-yl] 6-fluoranylpyrazine-2-carbothioate Openeye Name: S-[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-pyrimidin-1-ium-2-yl] 6-fluoropyrazine-2-carbothioate CAS Name: 6-fluoro-2-pyrazinecarbothioic acid S-[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-2-pyrimidin-1-iumyl] ester IUPAC Name: S-[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylpyrimidin-1-ium-2-yl] 6-fluoropyrazine-2-carbothioate Traditional Name: 6-fluoropyrazine-2-carbothioic acid S-[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-pyrimidin-1-ium-2-yl] ester Formula: C25H19FN5OS2+ MolecularWeight: 488.579663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NC(=C1)C=C2N(C3=CC=CC=C3S2)C)SC(=O)C4=CN=CC(=N4)F)C5=CC=CC=C5

Isomeric SMILES

CC1=[N+](C(=NC(=C1)/C=C\2/N(C3=CC=CC=C3S2)C)SC(=O)C4=CN=CC(=N4)F)C5=CC=CC=C5

InChI

InChI=1S/C25H19FN5OS2/c1-16-12-17(13-23-30(2)20-10-6-7-11-21(20)33-23)28-25(31(16)18-8-4-3-5-9-18)34-24(32)19-14-27-15-22(26)29-19/h3-15H,1-2H3/q+1