2-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]methyl]benzonitrile IUPAC Name: 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C12H9N3O2S MolecularWeight: 259.28376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O2S/c13-6-8-3-1-2-4-9(8)7-18-12-14-10(16)5-11(17)15-12/h1-5H,7H2,(H2,14,15,16,17)