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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2OS/c1-18-9-14-22(19(2)17-18)27-25(30)23(28-15-7-6-8-16-28)24(29)20-10-12-21(13-11-20)26(3,4)5/h6-17H,1-5H3,(H-,27,29,30)