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

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-[(4-fluorophenyl)amino]-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-fluoroanilino)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-(4-fluoroanilino)-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-fluoroanilino)-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-fluoroanilino)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate Formula: C20H18FN3OS2 MolecularWeight: 399.504823

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C(=C(C2=CC=CS2)[O-])C(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)C(=C(C2=CC=CS2)[O-])C(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H18FN3OS2/c1-23(2)16-9-11-24(12-10-16)18(19(25)17-4-3-13-27-17)20(26)22-15-7-5-14(21)6-8-15/h3-13H,1-2H3,(H-,22,25,26)