3-[(3-fluoranyl-4-methyl-phenyl)amino]-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 3-[(3-fluoranyl-4-methyl-phenyl)amino]-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(3-fluoro-4-methyl-anilino)-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(3-fluoro-4-methylanilino)-3-mercapto-1-(4-nitrophenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(3-fluoro-4-methylanilino)-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(3-fluoro-4-methyl-anilino)-3-mercapto-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C21H17FN3O3S+ MolecularWeight: 410.441383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=C(C(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+]3=CC=CC=C3)S)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=C(C(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+]3=CC=CC=C3)S)F

InChI

InChI=1S/C21H16FN3O3S/c1-14-5-8-16(13-18(14)22)23-21(29)19(24-11-3-2-4-12-24)20(26)15-6-9-17(10-7-15)25(27)28/h2-13H,1H3,(H-,23,26,29)/p+1