3-[(3,5-dimethylphenyl)amino]-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 3-[(3,5-dimethylphenyl)amino]-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-(3,5-dimethylanilino)-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 3-(3,5-dimethylanilino)-1-(3-nitrophenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-(3,5-dimethylanilino)-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-(3,5-dimethylanilino)-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)C(=C(C2=CC(=CC=C2)[N+](=O)[O-])[O-])[N+]3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)C(=C(C2=CC(=CC=C2)[N+](=O)[O-])[O-])[N+]3=CC=CC=C3)C

InChI

InChI=1S/C22H19N3O3S/c1-15-11-16(2)13-18(12-15)23-22(29)20(24-9-4-3-5-10-24)21(26)17-7-6-8-19(14-17)25(27)28/h3-14H,1-2H3,(H-,23,26,29)