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

Systemtic Name: (E)-3-[(4-methylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(4-methylanilino)-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-(4-methylanilino)-2-(3-methyl-1-pyridin-1-iumyl)-1-(4-nitrophenyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(4-methylanilino)-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-toluidino)-3-thioxo-prop-1-en-1-olate Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C22H19N3O3S/c1-15-5-9-18(10-6-15)23-22(29)20(24-13-3-4-16(2)14-24)21(26)17-7-11-19(12-8-17)25(27)28/h3-14H,1-2H3,(H-,23,26,29)