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

Systemtic Name: (Z)-3-[(2-fluorophenyl)amino]-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: (Z)-3-(2-fluoroanilino)-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: (Z)-3-(2-fluoroanilino)-3-mercapto-1-(4-methoxyphenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (Z)-3-(2-fluoroanilino)-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: (Z)-3-(2-fluoroanilino)-3-mercapto-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C21H18FN2O2S+ MolecularWeight: 381.443223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(=C(NC2=CC=CC=C2F)S)[N+]3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C(=C(\NC2=CC=CC=C2F)/S)/[N+]3=CC=CC=C3

InChI

InChI=1S/C21H17FN2O2S/c1-26-16-11-9-15(10-12-16)20(25)19(24-13-5-2-6-14-24)21(27)23-18-8-4-3-7-17(18)22/h2-14H,1H3,(H-,23,25,27)/p+1