2-[(3-cyanophenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(3-cyanophenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(3-cyanophenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[(3-cyanophenyl)methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(3-cyanophenyl)methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(3-cyanobenzyl)thio]-6-propyl-pyrimidin-4-olate Formula: C15H14N3OS- MolecularWeight: 284.35616

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C#N)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C#N)[O-]

InChI

InChI=1S/C15H15N3OS/c1-2-4-13-8-14(19)18-15(17-13)20-10-12-6-3-5-11(7-12)9-16/h3,5-8H,2,4,10H2,1H3,(H,17,18,19)/p-1