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

Systemtic Name: (E)-3-[(3,4-dimethylphenyl)amino]-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(3,4-dimethylanilino)-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-(3,4-dimethylanilino)-1-(4-methyl-3-nitrophenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(3,4-dimethylanilino)-1-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(3,4-dimethylanilino)-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:

CC1=C(C=C(C=C1)NC(=S)C(=C(C2=CC(=C(C=C2)C)[N+](=O)[O-])[O-])[N+]3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)/C(=C(/C2=CC(=C(C=C2)C)[N+](=O)[O-])\[O-])/[N+]3=CC=CC=C3)C

InChI

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