2-[(3-cyanophenyl)methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 2-[(3-cyanophenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 2-[(3-cyanophenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 2-[(3-cyanophenyl)methylthio]-4-pyrimidinolate IUPAC Name: 2-[(3-cyanophenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 2-[(3-cyanobenzyl)thio]pyrimidin-4-olate Formula: C12H8N3OS- MolecularWeight: 242.27642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC=CC(=N2)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC=CC(=N2)[O-])C#N

InChI

InChI=1S/C12H9N3OS/c13-7-9-2-1-3-10(6-9)8-17-12-14-5-4-11(16)15-12/h1-6H,8H2,(H,14,15,16)/p-1