7-(1,3-benzodioxol-5-yl)-2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-3-olate

Systemtic Name: 7-(1,3-benzodioxol-5-yl)-2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-3-olate Openeye Name: 7-(1,3-benzodioxol-5-yl)-2-phenyl-thiazolo[3,2-a]pyrimidin-4-ium-3-olate CAS Name: 7-(1,3-benzodioxol-5-yl)-2-phenyl-3-thiazolo[3,2-a]pyrimidin-4-iumolate IUPAC Name: 7-(1,3-benzodioxol-5-yl)-2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-3-olate Traditional Name: 7-(1,3-benzodioxol-5-yl)-2-phenyl-thiazolo[3,2-a]pyrimidin-4-ium-3-olate Formula: C19H12N2O3S MolecularWeight: 348.37518

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=[N+](C=C3)C(=C(S4)C5=CC=CC=C5)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=[N+](C=C3)C(=C(S4)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C19H12N2O3S/c22-18-17(12-4-2-1-3-5-12)25-19-20-14(8-9-21(18)19)13-6-7-15-16(10-13)24-11-23-15/h1-10H,11H2