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

Systemtic Name: (Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(p-toluidino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C23H20N2O3S MolecularWeight: 404.4815

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O3S/c1-16-5-8-18(9-6-16)24-23(29)21(25-11-3-2-4-12-25)22(26)17-7-10-19-20(15-17)28-14-13-27-19/h2-12,15H,13-14H2,1H3,(H-,24,26,29)