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

Systemtic Name: 2-(4-ethylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-3-[(3-methylphenyl)amino]-3-sulfanyl-prop-2-en-1-one Openeye Name: 2-(4-ethylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-3-(3-methylanilino)-3-sulfanyl-prop-2-en-1-one CAS Name: 2-(4-ethyl-1-pyridin-1-iumyl)-3-mercapto-1-(4-methoxyphenyl)-3-(3-methylanilino)-2-propen-1-one IUPAC Name: 2-(4-ethylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-3-(3-methylanilino)-3-sulfanylprop-2-en-1-one Traditional Name: 2-(4-ethylpyridin-1-ium-1-yl)-3-mercapto-1-(4-methoxyphenyl)-3-(m-toluidino)prop-2-en-1-one Formula: C24H25N2O2S+ MolecularWeight: 405.5325

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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