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

Systemtic Name: 3-[(3-chloranyl-2-methyl-phenyl)amino]-1-(4-fluorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(3-chloro-2-methyl-anilino)-1-(4-fluorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(3-chloro-2-methylanilino)-1-(4-fluorophenyl)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(3-chloro-2-methylanilino)-1-(4-fluorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(3-chloro-2-methyl-anilino)-1-(4-fluorophenyl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C21H17ClFN2OS+ MolecularWeight: 399.888883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=C(C(=O)C2=CC=C(C=C2)F)[N+]3=CC=CC=C3)S

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=C(C(=O)C2=CC=C(C=C2)F)[N+]3=CC=CC=C3)S

InChI

InChI=1S/C21H16ClFN2OS/c1-14-17(22)6-5-7-18(14)24-21(27)19(25-12-3-2-4-13-25)20(26)15-8-10-16(23)11-9-15/h2-13H,1H3,(H-,24,26,27)/p+1