2-(cyanomethylsulfanyl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-olate

Systemtic Name: 2-(cyanomethylsulfanyl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-olate Openeye Name: 2-(cyanomethylsulfanyl)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-olate CAS Name: 2-(cyanomethylthio)-5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinolate IUPAC Name: 2-(cyanomethylsulfanyl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-olate Traditional Name: 2-(cyanomethylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-olate Formula: C15H10N3OS2- MolecularWeight: 312.3894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=NC(=NC(=C23)[O-])SCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=NC(=NC(=C23)[O-])SCC#N

InChI

InChI=1S/C15H11N3OS2/c1-9-2-4-10(5-3-9)11-8-21-14-12(11)13(19)17-15(18-14)20-7-6-16/h2-5,8H,7H2,1H3,(H,17,18,19)/p-1