(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-(3-methyl-1-pyridin-1-iumyl)-1-(4-nitrophenyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-(piperonylamino)-3-thioxo-prop-1-en-1-olate Formula: C23H19N3O5S MolecularWeight: 449.47906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(C2=CC=C(C=C2)[N+](=O)[O-])[O-])C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C[N+](=CC=C1)/C(=C(\C2=CC=C(C=C2)[N+](=O)[O-])/[O-])/C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H19N3O5S/c1-15-3-2-10-25(13-15)21(22(27)17-5-7-18(8-6-17)26(28)29)23(32)24-12-16-4-9-19-20(11-16)31-14-30-19/h2-11,13H,12,14H2,1H3,(H-,24,27,32)