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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(3,4-dimethylphenyl)-3-(4-fluoroanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(3,4-dimethylphenyl)-3-(4-fluoroanilino)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(3,4-dimethylphenyl)-3-(4-fluoroanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(3,4-dimethylphenyl)-3-(4-fluoroanilino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C22H20FN2OS+ MolecularWeight: 379.470403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(=C(NC2=CC=C(C=C2)F)S)[N+]3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(=C(NC2=CC=C(C=C2)F)S)[N+]3=CC=CC=C3)C

InChI

InChI=1S/C22H19FN2OS/c1-15-6-7-17(14-16(15)2)21(26)20(25-12-4-3-5-13-25)22(27)24-19-10-8-18(23)9-11-19/h3-14H,1-2H3,(H-,24,26,27)/p+1