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

Systemtic Name: 3-[(2-ethoxyphenyl)amino]-1-(4-ethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(2-ethoxyanilino)-1-(4-ethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(2-ethoxyanilino)-1-(4-ethylphenyl)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(2-ethoxyanilino)-1-(4-ethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(4-ethylphenyl)-3-mercapto-3-(o-phenetidino)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C24H25N2O2S+ MolecularWeight: 405.5325

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(=C(NC2=CC=CC=C2OCC)S)[N+]3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(=C(NC2=CC=CC=C2OCC)S)[N+]3=CC=CC=C3

InChI

InChI=1S/C24H24N2O2S/c1-3-18-12-14-19(15-13-18)23(27)22(26-16-8-5-9-17-26)24(29)25-20-10-6-7-11-21(20)28-4-2/h5-17H,3-4H2,1-2H3,(H-,25,27,29)/p+1