3-[(3-methoxyphenyl)amino]-1-(4-nitrophenyl)-2-quinolin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 3-[(3-methoxyphenyl)amino]-1-(4-nitrophenyl)-2-quinolin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-(3-methoxyanilino)-1-(4-nitrophenyl)-2-quinolin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 3-(3-methoxyanilino)-1-(4-nitrophenyl)-2-(1-quinolin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-(3-methoxyanilino)-1-(4-nitrophenyl)-2-quinolin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-(m-anisidino)-1-(4-nitrophenyl)-2-quinolin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C25H19N3O4S MolecularWeight: 457.50106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)C(=C(C2=CC=C(C=C2)[N+](=O)[O-])[O-])[N+]3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)C(=C(C2=CC=C(C=C2)[N+](=O)[O-])[O-])[N+]3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H19N3O4S/c1-32-21-9-4-8-19(16-21)26-25(33)23(24(29)18-11-13-20(14-12-18)28(30)31)27-15-5-7-17-6-2-3-10-22(17)27/h2-16H,1H3,(H-,26,29,33)