1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpyridin-1-ium-1-yl)-3-phenylazanyl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpyridin-1-ium-1-yl)-3-phenylazanyl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-anilino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate CAS Name: 3-anilino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-anilino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-anilino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpyridin-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=C[N+](=CC=C1)C(=C(C2=CC3=C(C=C2)OCCO3)[O-])C(=S)NC4=CC=CC=C4

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(C2=CC3=C(C=C2)OCCO3)[O-])C(=S)NC4=CC=CC=C4

InChI

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