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

Systemtic Name: 3-[(3-ethylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-(3-ethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-thioxo-prop-1-en-1-olate CAS Name: 3-(3-ethylanilino)-2-(3-methyl-1-pyridin-1-iumyl)-1-(4-nitrophenyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-(3-ethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-(3-ethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-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=C1)NC(=S)C(=C(C2=CC=C(C=C2)[N+](=O)[O-])[O-])[N+]3=CC=CC(=C3)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)C(=C(C2=CC=C(C=C2)[N+](=O)[O-])[O-])[N+]3=CC=CC(=C3)C

InChI

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