2-[5-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]furan-2-yl]sulfanylpyrimidine

Systemtic Name: 2-[5-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]furan-2-yl]sulfanylpyrimidine Openeye Name: 2-[[5-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]-2-furyl]sulfanyl]pyrimidine CAS Name: 2-[[5-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]-2-furanyl]thio]pyrimidine IUPAC Name: 2-[5-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]furan-2-yl]sulfanylpyrimidine Traditional Name: 2-[[5-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]-2-furyl]thio]pyrimidine Formula: C16H14N3OS+ MolecularWeight: 296.36686

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C=CC2=CC=C(O2)SC3=NC=CC=N3

Isomeric SMILES

C[N+]1=CC=C(C=C1)/C=C/C2=CC=C(O2)SC3=NC=CC=N3

InChI

InChI=1S/C16H14N3OS/c1-19-11-7-13(8-12-19)3-4-14-5-6-15(20-14)21-16-17-9-2-10-18-16/h2-12H,1H3/q+1/b4-3+