(E)-1-(5-chloranylthiophen-2-yl)-3-(2-morpholin-4-ylethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-(5-chloranylthiophen-2-yl)-3-(2-morpholin-4-ylethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(5-chloro-2-thienyl)-3-(2-morpholinoethylamino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(5-chloro-2-thiophenyl)-3-[2-(4-morpholinyl)ethylamino]-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(5-chlorothiophen-2-yl)-3-(2-morpholin-4-ylethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(5-chloro-2-thienyl)-3-(2-morpholinoethylamino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C18H20ClN3O2S2 MolecularWeight: 409.9533

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=S)C(=C(C2=CC=C(S2)Cl)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

C1COCCN1CCNC(=S)/C(=C(/C2=CC=C(S2)Cl)\[O-])/[N+]3=CC=CC=C3

InChI

InChI=1S/C18H20ClN3O2S2/c19-15-5-4-14(26-15)17(23)16(22-7-2-1-3-8-22)18(25)20-6-9-21-10-12-24-13-11-21/h1-5,7-8H,6,9-13H2,(H-,20,23,25)