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

Systemtic Name: 3-(7-methyl-4-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)phenolate Openeye Name: 3-(7-methyl-4-thioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)phenolate CAS Name: 3-(7-methyl-4-sulfanylidene-1,5-dihydro[1]benzopyrano[2,3-d]pyrimidin-2-yl)phenolate IUPAC Name: 3-(7-methyl-4-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)phenolate Traditional Name: 3-(7-methyl-4-thioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)phenolate Formula: C18H13N2O2S- MolecularWeight: 321.37302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C2)C(=S)N=C(N3)C4=CC(=CC=C4)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C2)C(=S)N=C(N3)C4=CC(=CC=C4)[O-]

InChI

InChI=1S/C18H14N2O2S/c1-10-5-6-15-12(7-10)9-14-17(22-15)19-16(20-18(14)23)11-3-2-4-13(21)8-11/h2-8,21H,9H2,1H3,(H,19,20,23)/p-1