(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(naphthalen-1-ylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(naphthalen-1-ylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-naphthylamino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-naphthalenylamino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(naphthalen-1-ylamino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-naphthylamino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C26H20N2O3S MolecularWeight: 440.5136

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=C(C(=S)NC3=CC=CC4=CC=CC=C43)[N+]5=CC=CC=C5)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)/C(=C(/C(=S)NC3=CC=CC4=CC=CC=C43)\[N+]5=CC=CC=C5)/[O-]

InChI

InChI=1S/C26H20N2O3S/c29-25(19-11-12-22-23(17-19)31-16-15-30-22)24(28-13-4-1-5-14-28)26(32)27-21-10-6-8-18-7-2-3-9-20(18)21/h1-14,17H,15-16H2,(H-,27,29,32)