3-[(2,6-dimethylphenyl)amino]-1-(4-ethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 3-[(2,6-dimethylphenyl)amino]-1-(4-ethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(2,6-dimethylanilino)-1-(4-ethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(2,6-dimethylanilino)-1-(4-ethylphenyl)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(2,6-dimethylanilino)-1-(4-ethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(2,6-dimethylanilino)-1-(4-ethylphenyl)-3-mercapto-2-pyridin-1-ium-1-yl-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=C(C=CC=C2C)C)S)[N+]3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(=C(NC2=C(C=CC=C2C)C)S)[N+]3=CC=CC=C3

InChI

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