1-(4-fluorophenyl)-3-[(2-methylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 1-(4-fluorophenyl)-3-[(2-methylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 1-(4-fluorophenyl)-3-(2-methylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 1-(4-fluorophenyl)-3-(2-methylanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 1-(4-fluorophenyl)-3-(2-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 1-(4-fluorophenyl)-3-(o-toluidino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C21H17FN2OS MolecularWeight: 364.435883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)C(=C(C2=CC=C(C=C2)F)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)C(=C(C2=CC=C(C=C2)F)[O-])[N+]3=CC=CC=C3

InChI

InChI=1S/C21H17FN2OS/c1-15-7-3-4-8-18(15)23-21(26)19(24-13-5-2-6-14-24)20(25)16-9-11-17(22)12-10-16/h2-14H,1H3,(H-,23,25,26)