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

Systemtic Name: 1-(3,4-dichlorophenyl)-3-[(2-fluorophenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C20H14Cl2FN2OS+ MolecularWeight: 420.307363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C(=C(NC2=CC=CC=C2F)S)C(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=[N+](C=C1)C(=C(NC2=CC=CC=C2F)S)C(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H13Cl2FN2OS/c21-14-9-8-13(12-15(14)22)19(26)18(25-10-4-1-5-11-25)20(27)24-17-7-3-2-6-16(17)23/h1-12H,(H-,24,26,27)/p+1