1-(4-fluorophenyl)-3-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 1-(4-fluorophenyl)-3-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 1-(4-fluorophenyl)-3-(4-morpholinosulfonylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 1-(4-fluorophenyl)-3-[4-(4-morpholinylsulfonyl)anilino]-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 1-(4-fluorophenyl)-3-(4-morpholin-4-ylsulfonylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 1-(4-fluorophenyl)-3-(4-morpholinosulfonylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C24H22FN3O4S2 MolecularWeight: 499.577583

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)C(=C(C3=CC=C(C=C3)F)[O-])[N+]4=CC=CC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)C(=C(C3=CC=C(C=C3)F)[O-])[N+]4=CC=CC=C4

InChI

InChI=1S/C24H22FN3O4S2/c25-19-6-4-18(5-7-19)23(29)22(27-12-2-1-3-13-27)24(33)26-20-8-10-21(11-9-20)34(30,31)28-14-16-32-17-15-28/h1-13H,14-17H2,(H-,26,29,33)