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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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