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

Systemtic Name: 3-[(4-chlorophenyl)amino]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-(4-chloroanilino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 3-(4-chloroanilino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-(4-chloroanilino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-(4-chloroanilino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C22H17ClN2O3S MolecularWeight: 424.89998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=C(C(=S)NC3=CC=C(C=C3)Cl)[N+]4=CC=CC=C4)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=C(C(=S)NC3=CC=C(C=C3)Cl)[N+]4=CC=CC=C4)[O-]

InChI

InChI=1S/C22H17ClN2O3S/c23-16-5-7-17(8-6-16)24-22(29)20(25-10-2-1-3-11-25)21(26)15-4-9-18-19(14-15)28-13-12-27-18/h1-11,14H,12-13H2,(H-,24,26,29)