2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(3,5-dimethylphenyl)amino]-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(3,5-dimethylphenyl)amino]-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(3,5-dimethylanilino)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-3-(3,5-dimethylanilino)-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(3,5-dimethylanilino)-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(3,5-dimethylanilino)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate Formula: C24H26N2OS2 MolecularWeight: 422.60604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)C(=C(C2=CC=CS2)[O-])[N+]3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)C(=C(C2=CC=CS2)[O-])[N+]3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C24H26N2OS2/c1-16-13-17(2)15-19(14-16)25-23(28)21(22(27)20-7-6-12-29-20)26-10-8-18(9-11-26)24(3,4)5/h6-15H,1-5H3,(H-,25,27,28)