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

Systemtic Name: (E)-3-(2-morpholin-4-ylethylamino)-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(2-morpholinoethylamino)-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-[2-(4-morpholinyl)ethylamino]-1-(3-nitrophenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(2-morpholin-4-ylethylamino)-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(2-morpholinoethylamino)-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S/c25-19(16-5-4-6-17(15-16)24(26)27)18(23-8-2-1-3-9-23)20(29)21-7-10-22-11-13-28-14-12-22/h1-6,8-9,15H,7,10-14H2,(H-,21,25,29)