(E)-3-(1,3-benzodioxol-5-ylmethylamino)-1-(5-chloranylthiophen-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-3-(1,3-benzodioxol-5-ylmethylamino)-1-(5-chloranylthiophen-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(1,3-benzodioxol-5-ylmethylamino)-1-(5-chloro-2-thienyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-(1,3-benzodioxol-5-ylmethylamino)-1-(5-chloro-2-thiophenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(1,3-benzodioxol-5-ylmethylamino)-1-(5-chlorothiophen-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(5-chloro-2-thienyl)-3-(piperonylamino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C20H15ClN2O3S2 MolecularWeight: 430.9277

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)C(=C(C3=CC=C(S3)Cl)[O-])[N+]4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)/C(=C(/C3=CC=C(S3)Cl)\[O-])/[N+]4=CC=CC=C4

InChI

InChI=1S/C20H15ClN2O3S2/c21-17-7-6-16(28-17)19(24)18(23-8-2-1-3-9-23)20(27)22-11-13-4-5-14-15(10-13)26-12-25-14/h1-10H,11-12H2,(H-,22,24,27)