3-(7-bromanyl-4-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)phenolate

Systemtic Name: 3-(7-bromanyl-4-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)phenolate Openeye Name: 3-(7-bromo-4-thioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)phenolate CAS Name: 3-(7-bromo-4-sulfanylidene-1,5-dihydro[1]benzopyrano[2,3-d]pyrimidin-2-yl)phenolate IUPAC Name: 3-(7-bromo-4-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)phenolate Traditional Name: 3-(7-bromo-4-thioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)phenolate Formula: C17H10BrN2O2S- MolecularWeight: 386.2425

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)Br)OC3=C1C(=S)N=C(N3)C4=CC(=CC=C4)[O-]

Isomeric SMILES

C1C2=C(C=CC(=C2)Br)OC3=C1C(=S)N=C(N3)C4=CC(=CC=C4)[O-]

InChI

InChI=1S/C17H11BrN2O2S/c18-11-4-5-14-10(6-11)8-13-16(22-14)19-15(20-17(13)23)9-2-1-3-12(21)7-9/h1-7,21H,8H2,(H,19,20,23)/p-1