(E)-3-[(2,6-diethylphenyl)amino]-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-3-[(2,6-diethylphenyl)amino]-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(2,6-diethylanilino)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-(2,6-diethylanilino)-1-(3,4-dimethylphenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(2,6-diethylanilino)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(2,6-diethylanilino)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C26H28N2OS MolecularWeight: 416.57832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)C(=C(C2=CC(=C(C=C2)C)C)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)/C(=C(/C2=CC(=C(C=C2)C)C)\[O-])/[N+]3=CC=CC=C3

InChI

InChI=1S/C26H28N2OS/c1-5-20-11-10-12-21(6-2)23(20)27-26(30)24(28-15-8-7-9-16-28)25(29)22-14-13-18(3)19(4)17-22/h7-17H,5-6H2,1-4H3,(H-,27,29,30)