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

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-[(4-fluorophenyl)amino]-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-fluoroanilino)-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-(4-fluoroanilino)-3-mercapto-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-fluoroanilino)-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-fluoroanilino)-3-mercapto-1-(2-thienyl)prop-2-en-1-one Formula: C20H19FN3OS2+ MolecularWeight: 400.512763

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C(=C(NC2=CC=C(C=C2)F)S)C(=O)C3=CC=CS3

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)C(=C(NC2=CC=C(C=C2)F)S)C(=O)C3=CC=CS3

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)/p+1