(E)-3-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-3-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(2-furylmethylamino)-1-(p-tolyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-(2-furanylmethylamino)-1-(4-methylphenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(2-furfurylamino)-1-(p-tolyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C(C(=S)NCC2=CC=CO2)[N+]3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C(/C(=S)NCC2=CC=CO2)\[N+]3=CC=CC=C3)/[O-]

InChI

InChI=1S/C20H18N2O2S/c1-15-7-9-16(10-8-15)19(23)18(22-11-3-2-4-12-22)20(25)21-14-17-6-5-13-24-17/h2-13H,14H2,1H3,(H-,21,23,25)