9-methoxy-2-(4-methylsulfanylphenyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate

Systemtic Name: 9-methoxy-2-(4-methylsulfanylphenyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate Openeye Name: 9-methoxy-2-(4-methylsulfanylphenyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate CAS Name: 9-methoxy-2-[4-(methylthio)phenyl]-5H-[1]benzopyrano[2,3-d]pyrimidine-4-thiolate IUPAC Name: 9-methoxy-2-(4-methylsulfanylphenyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate Traditional Name: 9-methoxy-2-[4-(methylthio)phenyl]-5H-chromeno[2,3-d]pyrimidine-4-thiolate Formula: C19H15N2O2S2- MolecularWeight: 367.4646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC3=C(C2)C(=NC(=N3)C4=CC=C(C=C4)SC)[S-]

Isomeric SMILES

COC1=CC=CC2=C1OC3=C(C2)C(=NC(=N3)C4=CC=C(C=C4)SC)[S-]

InChI

InChI=1S/C19H16N2O2S2/c1-22-15-5-3-4-12-10-14-18(23-16(12)15)20-17(21-19(14)24)11-6-8-13(25-2)9-7-11/h3-9H,10H2,1-2H3,(H,20,21,24)/p-1