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

Systemtic Name: 7-bromanyl-2-(4-methylsulfanylphenyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate Openeye Name: 7-bromo-2-(4-methylsulfanylphenyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate CAS Name: 7-bromo-2-[4-(methylthio)phenyl]-5H-[1]benzopyrano[2,3-d]pyrimidine-4-thiolate IUPAC Name: 7-bromo-2-(4-methylsulfanylphenyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate Traditional Name: 7-bromo-2-[4-(methylthio)phenyl]-5H-chromeno[2,3-d]pyrimidine-4-thiolate Formula: C18H12BrN2OS2- MolecularWeight: 416.33468

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NC3=C(CC4=C(O3)C=CC(=C4)Br)C(=N2)[S-]

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NC3=C(CC4=C(O3)C=CC(=C4)Br)C(=N2)[S-]

InChI

InChI=1S/C18H13BrN2OS2/c1-24-13-5-2-10(3-6-13)16-20-17-14(18(23)21-16)9-11-8-12(19)4-7-15(11)22-17/h2-8H,9H2,1H3,(H,20,21,23)/p-1