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

Systemtic Name: (E)-3-[(4-ethoxyphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(4-ethoxyanilino)-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-(4-ethoxyanilino)-2-(3-methyl-1-pyridin-1-iumyl)-1-(4-nitrophenyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(4-ethoxyanilino)-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-(p-phenetidino)-3-thioxo-prop-1-en-1-olate Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)C(=C(C2=CC=C(C=C2)[N+](=O)[O-])[O-])[N+]3=CC=CC(=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)/C(=C(/C2=CC=C(C=C2)[N+](=O)[O-])\[O-])/[N+]3=CC=CC(=C3)C

InChI

InChI=1S/C23H21N3O4S/c1-3-30-20-12-8-18(9-13-20)24-23(31)21(25-14-4-5-16(2)15-25)22(27)17-6-10-19(11-7-17)26(28)29/h4-15H,3H2,1-2H3,(H-,24,27,31)