3-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 3-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(2-furylmethylamino)-1-(p-tolyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(2-furanylmethylamino)-3-mercapto-1-(4-methylphenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(2-furfurylamino)-3-mercapto-1-(p-tolyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C20H19N2O2S+ MolecularWeight: 351.44206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)/p+1