(E)-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate

Systemtic Name: (E)-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: (E)-3-(2-furylmethylamino)-2-pyridin-1-ium-1-yl-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-(2-furanylmethylamino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: (E)-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: (E)-3-(2-furfurylamino)-2-pyridin-1-ium-1-yl-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate Formula: C17H14N2O2S2 MolecularWeight: 342.43526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C(=C(C2=CC=CS2)[O-])C(=S)NCC3=CC=CO3

Isomeric SMILES

C1=CC=[N+](C=C1)/C(=C(\C2=CC=CS2)/[O-])/C(=S)NCC3=CC=CO3

InChI

InChI=1S/C17H14N2O2S2/c20-16(14-7-5-11-23-14)15(19-8-2-1-3-9-19)17(22)18-12-13-6-4-10-21-13/h1-11H,12H2,(H-,18,20,22)