3-[(2-ethylphenyl)amino]-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 3-[(2-ethylphenyl)amino]-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-(2-ethylanilino)-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 3-(2-ethylanilino)-1-(4-methyl-3-nitrophenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-(2-ethylanilino)-1-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-(2-ethylanilino)-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)C(=C(C2=CC(=C(C=C2)C)[N+](=O)[O-])[O-])[N+]3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)C(=C(C2=CC(=C(C=C2)C)[N+](=O)[O-])[O-])[N+]3=CC=CC=C3

InChI

InChI=1S/C23H21N3O3S/c1-3-17-9-5-6-10-19(17)24-23(30)21(25-13-7-4-8-14-25)22(27)18-12-11-16(2)20(15-18)26(28)29/h4-15H,3H2,1-2H3,(H-,24,27,30)