(E)-3-[(2,6-dimethylphenyl)amino]-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-3-[(2,6-dimethylphenyl)amino]-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(2,6-dimethylanilino)-1-phenyl-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-(2,6-dimethylanilino)-1-phenyl-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(2,6-dimethylanilino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(2,6-dimethylanilino)-1-phenyl-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C22H20N2OS MolecularWeight: 360.472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2OS/c1-16-10-9-11-17(2)19(16)23-22(26)20(24-14-7-4-8-15-24)21(25)18-12-5-3-6-13-18/h3-15H,1-2H3,(H-,23,25,26)