3-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(6-oxo-1H-pyrimidin-2-yl)thio]methyl]benzonitrile IUPAC Name: 3-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(6-keto-1H-pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C12H9N3OS MolecularWeight: 243.28436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC=CC(=O)N2)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)