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

Systemtic Name: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-anilino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-anilino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-anilino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-anilino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O3S/c25-21(16-9-10-18-19(15-16)27-14-13-26-18)20(24-11-5-2-6-12-24)22(28)23-17-7-3-1-4-8-17/h1-12,15H,13-14H2,(H-,23,25,28)