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

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

Isomeric SMILES

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