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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3,4-dimethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethylanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)C(=C(C2=CC3=C(C=C2)OCCO3)[O-])[N+]4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)C(=C(C2=CC3=C(C=C2)OCCO3)[O-])[N+]4=CC=CC=C4)C

InChI

InChI=1S/C24H22N2O3S/c1-16-6-8-19(14-17(16)2)25-24(30)22(26-10-4-3-5-11-26)23(27)18-7-9-20-21(15-18)29-13-12-28-20/h3-11,14-15H,12-13H2,1-2H3,(H-,25,27,30)