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

Systemtic Name: (E)-3-[(3-methylphenyl)amino]-1-(4-nitrophenyl)-2-quinolin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(3-methylanilino)-1-(4-nitrophenyl)-2-quinolin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-(3-methylanilino)-1-(4-nitrophenyl)-2-(1-quinolin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(3-methylanilino)-1-(4-nitrophenyl)-2-quinolin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(m-toluidino)-1-(4-nitrophenyl)-2-quinolin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C25H19N3O3S MolecularWeight: 441.50166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C25H19N3O3S/c1-17-6-4-9-20(16-17)26-25(32)23(24(29)19-11-13-21(14-12-19)28(30)31)27-15-5-8-18-7-2-3-10-22(18)27/h2-16H,1H3,(H-,26,29,32)