1-(5-chloranylthiophen-2-yl)-3-[(3-fluoranyl-4-methyl-phenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-3-[(3-fluoranyl-4-methyl-phenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(5-chloro-2-thienyl)-3-(3-fluoro-4-methyl-anilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(5-chloro-2-thiophenyl)-3-(3-fluoro-4-methylanilino)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(5-chlorothiophen-2-yl)-3-(3-fluoro-4-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(5-chloro-2-thienyl)-3-(3-fluoro-4-methyl-anilino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C19H15ClFN2OS2+ MolecularWeight: 405.916603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=C(C(=O)C2=CC=C(S2)Cl)[N+]3=CC=CC=C3)S)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=C(C(=O)C2=CC=C(S2)Cl)[N+]3=CC=CC=C3)S)F

InChI

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