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

Systemtic Name: 9-methyl-2-(4-methylsulfanylphenyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate Openeye Name: 9-methyl-2-(4-methylsulfanylphenyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate CAS Name: 9-methyl-2-[4-(methylthio)phenyl]-5H-[1]benzopyrano[2,3-d]pyrimidine-4-thiolate IUPAC Name: 9-methyl-2-(4-methylsulfanylphenyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate Traditional Name: 9-methyl-2-[4-(methylthio)phenyl]-5H-chromeno[2,3-d]pyrimidine-4-thiolate Formula: C19H15N2OS2- MolecularWeight: 351.4652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC3=C(C2)C(=NC(=N3)C4=CC=C(C=C4)SC)[S-]

Isomeric SMILES

CC1=CC=CC2=C1OC3=C(C2)C(=NC(=N3)C4=CC=C(C=C4)SC)[S-]

InChI

InChI=1S/C19H16N2OS2/c1-11-4-3-5-13-10-15-18(22-16(11)13)20-17(21-19(15)23)12-6-8-14(24-2)9-7-12/h3-9H,10H2,1-2H3,(H,20,21,23)/p-1