1-(5-chloranylthiophen-2-yl)-3-[(2-fluorophenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-3-[(2-fluorophenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(5-chloro-2-thienyl)-3-(2-fluoroanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(5-chloro-2-thiophenyl)-3-(2-fluoroanilino)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(5-chlorothiophen-2-yl)-3-(2-fluoroanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(5-chloro-2-thienyl)-3-(2-fluoroanilino)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C19H15ClFN2OS2+ MolecularWeight: 405.916603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC=C2F)S)C(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC=C2F)S)C(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C19H14ClFN2OS2/c1-12-5-4-10-23(11-12)17(18(24)15-8-9-16(20)26-15)19(25)22-14-7-3-2-6-13(14)21/h2-11H,1H3,(H-,22,24,25)/p+1