1-(2-chlorophenyl)-3-[(3-fluoranyl-4-methyl-phenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 1-(2-chlorophenyl)-3-[(3-fluoranyl-4-methyl-phenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 1-(2-chlorophenyl)-3-(3-fluoro-4-methyl-anilino)-2-(3-methylpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate CAS Name: 1-(2-chlorophenyl)-3-(3-fluoro-4-methylanilino)-2-(3-methyl-1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 1-(2-chlorophenyl)-3-(3-fluoro-4-methylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: 1-(2-chlorophenyl)-3-(3-fluoro-4-methyl-anilino)-2-(3-methylpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate Formula: C22H18ClFN2OS MolecularWeight: 412.907523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(C2=CC=CC=C2Cl)[O-])C(=S)NC3=CC(=C(C=C3)C)F

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(C2=CC=CC=C2Cl)[O-])C(=S)NC3=CC(=C(C=C3)C)F

InChI

InChI=1S/C22H18ClFN2OS/c1-14-6-5-11-26(13-14)20(21(27)17-7-3-4-8-18(17)23)22(28)25-16-10-9-15(2)19(24)12-16/h3-13H,1-2H3,(H-,25,27,28)