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

Systemtic Name: 1-(4-ethylphenyl)-3-[(4-methylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(4-ethylphenyl)-3-(4-methylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(4-ethylphenyl)-3-mercapto-3-(4-methylanilino)-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(4-ethylphenyl)-3-(4-methylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(4-ethylphenyl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-3-(p-toluidino)prop-2-en-1-one Formula: C24H25N2OS+ MolecularWeight: 389.5331

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2OS/c1-4-19-9-11-20(12-10-19)23(27)22(26-15-5-6-18(3)16-26)24(28)25-21-13-7-17(2)8-14-21/h5-16H,4H2,1-3H3,(H-,25,27,28)/p+1