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

Systemtic Name: 3-[(3-chloranyl-2-methyl-phenyl)amino]-1-(4-ethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(3-chloro-2-methyl-anilino)-1-(4-ethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(3-chloro-2-methylanilino)-1-(4-ethylphenyl)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(3-chloro-2-methylanilino)-1-(4-ethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-(3-chloro-2-methyl-anilino)-1-(4-ethylphenyl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C24H24ClN2OS+ MolecularWeight: 423.97816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(=C(NC2=C(C(=CC=C2)Cl)C)S)[N+]3=CC=CC(=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(=C(NC2=C(C(=CC=C2)Cl)C)S)[N+]3=CC=CC(=C3)C

InChI

InChI=1S/C24H23ClN2OS/c1-4-18-10-12-19(13-11-18)23(28)22(27-14-6-7-16(2)15-27)24(29)26-21-9-5-8-20(25)17(21)3/h5-15H,4H2,1-3H3,(H-,26,28,29)/p+1