(Z)-3-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: (Z)-3-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: (Z)-3-(3-chloro-4-fluoro-anilino)-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: (Z)-3-(3-chloro-4-fluoroanilino)-3-mercapto-1-(4-methoxyphenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (Z)-3-(3-chloro-4-fluoroanilino)-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: (Z)-3-(3-chloro-4-fluoro-anilino)-3-mercapto-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C21H17ClFN2O2S+ MolecularWeight: 415.888283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(=C(NC2=CC(=C(C=C2)F)Cl)S)[N+]3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C(=C(\NC2=CC(=C(C=C2)F)Cl)/S)/[N+]3=CC=CC=C3

InChI

InChI=1S/C21H16ClFN2O2S/c1-27-16-8-5-14(6-9-16)20(26)19(25-11-3-2-4-12-25)21(28)24-15-7-10-18(23)17(22)13-15/h2-13H,1H3,(H-,24,26,28)/p+1