(E)-3-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-3-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=S)C(=C(C1=CC=C(C=C1)OC)[O-])[N+]2=CC=CC=C2

Isomeric SMILES

CCOCCCNC(=S)/C(=C(/C1=CC=C(C=C1)OC)\[O-])/[N+]2=CC=CC=C2

InChI

InChI=1S/C20H24N2O3S/c1-3-25-15-7-12-21-20(26)18(22-13-5-4-6-14-22)19(23)16-8-10-17(24-2)11-9-16/h4-6,8-11,13-14H,3,7,12,15H2,1-2H3,(H-,21,23,26)